(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

C26H33N3O3 — CID 54661874

IUPAC(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCC1)c1ccccc1
InChIInChI=1S/C26H33N3O3/c1-17(19-10-3-2-4-11-19)27-26(32)25-21(16-30)20-15-28-22(12-7-13-23(28)31)24(20)29(25)14-18-8-5-6-9-18/h2-4,7,10-13,17-18,20-21,24-25,30H,5-6,8-9,14-16H2,1H3,(H,27,32)/t17-,20+,21+,24-,25+/m0/s1
InChIKeyFBTWKQIUYZQJKL-DYMAAUEWSA-N
MW435.57 g/mol
LogP2.88
Rot. Bonds6

About (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (PubChem CID 54661874) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide.

Molecular Properties

Compound Name(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
PubChem CID54661874
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
SMILESC[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCC1)c1ccccc1
InChIInChI=1S/C26H33N3O3/c1-17(19-10-3-2-4-11-19)27-26(32)25-21(16-30)20-15-28-22(12-7-13-23(28)31)24(20)29(25)14-18-8-5-6-9-18/h2-4,7,10-13,17-18,20-21,24-25,30H,5-6,8-9,14-16H2,1H3,(H,27,32)/t17-,20+,21+,24-,25+/m0/s1
InChIKeyFBTWKQIUYZQJKL-DYMAAUEWSA-N
XLogP2.88
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide with MolForge

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Related Compounds

(2S,3S,3aR,9bR)-3-(hydroxymethyl)-1-methylsulfonyl-6-oxo-N-[(1R)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54660973
(2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54662636
(1S,9R,10R,11R)-10-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-12-(3,3,3-trifluoropropyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
CID 54660700
(2R,3R,3aS,9bS)-N-(cyclohexylmethyl)-3-(hydroxymethyl)-6-oxo-1-(pyridin-2-ylmethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54662367
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54662018
(2R,3R,3aS,9bS)-1-(cyclopropylmethyl)-N-ethyl-3-(hydroxymethyl)-6-oxo-7-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54663904
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-[(1S)-1-phenylethyl]-7-pyridin-4-yl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54660948
(1S,9R,10R,11R)-12-(cyclopropylmethyl)-10-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-5-[(E)-prop-1-enyl]-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxamide
CID 54663067
(2R,3R,3aS,9bS)-1-(cyclopropanecarbonyl)-3-(hydroxymethyl)-6-oxo-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54664552
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-1-methyl-6-oxo-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54660901
(2S,3S,3aR,9bR)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-7-[(Z)-prop-1-enyl]-N-propyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
CID 54662347
(2S,3S,3aR,9bR)-2-N-(cyclopropylmethyl)-3-(hydroxymethyl)-6-oxo-1-N-phenyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-1,2-dicarboxamide
CID 54661669

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?
The IUPAC name of (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CID 54661874) is (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide.
What is the SMILES notation for (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?
The canonical SMILES for (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide is C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCC1)c1ccccc1.
What is the InChIKey of (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?
The InChIKey is FBTWKQIUYZQJKL-DYMAAUEWSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-17(19-10-3-2-4-11-19)27-26(32)25-21(16-30)20-15-28-22(12-7-13-23(28)31)24(20)29(25)14-18-8-5-6-9-18/h2-4,7,10-13,17-18,20-21,24-25,30H,5-6,8-9,14-16H2,1H3,(H,27,32)/t17-,20+,21+,24-,25+/m0/s1.
What are the key properties of (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?
(2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,3aS,9bS)-1-(cyclopentylmethyl)-3-(hydroxymethyl)-6-oxo-N-[(1S)-1-phenylethyl]-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide is sourced from PubChem (CID 54661874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).