N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide

C16H26N2O3 — CID 122139792

IUPACN-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H26N2O3/c19-14-6-2-1-4-11(14)10-15(20)18-9-3-5-13(18)16(21)17-12-7-8-12/h11-14,19H,1-10H2,(H,17,21)/t11-,13?,14+/m1/s1
InChIKeyUVCFSPXCLGDGAF-VFXSIBAZSA-N
MW294.39 g/mol
LogP1.20
Rot. Bonds4

About N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide

N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 122139792) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
PubChem CID122139792
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)C1CCCN1C(=O)C[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C16H26N2O3/c19-14-6-2-1-4-11(14)10-15(20)18-9-3-5-13(18)16(21)17-12-7-8-12/h11-14,19H,1-10H2,(H,17,21)/t11-,13?,14+/m1/s1
InChIKeyUVCFSPXCLGDGAF-VFXSIBAZSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-(2-methoxyacetyl)pyrrolidine-2-carboxamide
CID 60733576
1-(3-aminopropanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 60939858
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
N-cyclopropyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-2-carboxamide
CID 61029481
(2S)-1-[2-(cyclopentylcarbamoylamino)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833402
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867
N-cyclopropyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47164597
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 119728138
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
1-(5-chloropentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54875325
1-[2-(4-aminopiperidin-1-yl)acetyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 79323069
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide (CID 122139792) is N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide is O=C(NC1CC1)C1CCCN1C(=O)C[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is UVCFSPXCLGDGAF-VFXSIBAZSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14-6-2-1-4-11(14)10-15(20)18-9-3-5-13(18)16(21)17-12-7-8-12/h11-14,19H,1-10H2,(H,17,21)/t11-,13?,14+/m1/s1.
What are the key properties of N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide?
N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[(1R,2S)-2-hydroxycyclohexyl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122139792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).