N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide

C17H24N2O2 — CID 107221780

IUPACN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCNC1
InChIInChI=1S/C17H24N2O2/c1-11(2)17(7-8-18-10-17)16(21)19-15-13-6-4-3-5-12(13)9-14(15)20/h3-6,11,14-15,18,20H,7-10H2,1-2H3,(H,19,21)/t14-,15+,17?/m1/s1
InChIKeyXSJBKXTXJBOGBK-CKDQBVIESA-N
MW288.39 g/mol
LogP1.40
Rot. Bonds3

About N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 107221780) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID107221780
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCNC1
InChIInChI=1S/C17H24N2O2/c1-11(2)17(7-8-18-10-17)16(21)19-15-13-6-4-3-5-12(13)9-14(15)20/h3-6,11,14-15,18,20H,7-10H2,1-2H3,(H,19,21)/t14-,15+,17?/m1/s1
InChIKeyXSJBKXTXJBOGBK-CKDQBVIESA-N
XLogP1.40
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrrolidine-3-carboxamide
CID 107222234
1-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclohexane-1-carboxamide
CID 107221873
N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
1-(aminomethyl)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 107222320
(2S)-2-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propanamide
CID 16720820
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopropane-1-carboxamide
CID 107221819
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979918
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 111829594
1-(aminomethyl)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclobutane-1-carboxamide
CID 107221770
4-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]oxane-4-carboxamide
CID 103950748
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 107221780) is N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CCNC1.
What is the InChIKey of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XSJBKXTXJBOGBK-CKDQBVIESA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)17(7-8-18-10-17)16(21)19-15-13-6-4-3-5-12(13)9-14(15)20/h3-6,11,14-15,18,20H,7-10H2,1-2H3,(H,19,21)/t14-,15+,17?/m1/s1.
What are the key properties of N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 107221780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).