(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide

C17H29N3O2 — CID 75411403

IUPAC(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C17H29N3O2/c1-18-17(22)15(12-6-3-2-4-7-12)20-11-5-8-14(20)16(21)19-13-9-10-13/h12-15H,2-11H2,1H3,(H,18,22)(H,19,21)/t14-,15+/m0/s1
InChIKeyOACJAGSZEUIMPC-LSDHHAIUSA-N
MW307.44 g/mol
LogP1.42
Rot. Bonds5

About (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide

(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide (PubChem CID 75411403) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide
PubChem CID75411403
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NC1CC1
InChIInChI=1S/C17H29N3O2/c1-18-17(22)15(12-6-3-2-4-7-12)20-11-5-8-14(20)16(21)19-13-9-10-13/h12-15H,2-11H2,1H3,(H,18,22)(H,19,21)/t14-,15+/m0/s1
InChIKeyOACJAGSZEUIMPC-LSDHHAIUSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 23646031
L-valyl-L-proline hexylamide
CID 11623539
N-(Trans-4-{(1s,2s)-2-Amino-3-[(3s)-3-Fluoropyrrolidin-1-Yl]-1-Methyl-3-Oxopropyl}cyclohexyl)-N-Methylacetamide
CID 16122596
Cyclohexylalanine derived inhibitor, 26
CID 23647729
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclopropylmethyl)pyrrolidine-2-carboxamide
CID 11151918
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(cyclohexylmethyl)pyrrolidine-2-carboxamide
CID 11176463
N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
CID 16187659
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
5-Oxo-L-prolyl-3-cyclohexyl-L-alanyl-L-prolinamide
CID 13312519
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594
(S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458603
(2S)-1-butanoyl-N-[(2S)-3-cyclohexyl-1-[[1-[[1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-[[3-[[(2S)-1-(dimethylamino)propan-2-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxodecan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 153581519

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide (CID 75411403) is (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide is CNC(=O)[C@@H](C1CCCCC1)N1CCC[C@H]1C(=O)NC1CC1.
What is the InChIKey of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide?
The InChIKey is OACJAGSZEUIMPC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-18-17(22)15(12-6-3-2-4-7-12)20-11-5-8-14(20)16(21)19-13-9-10-13/h12-15H,2-11H2,1H3,(H,18,22)(H,19,21)/t14-,15+/m0/s1.
What are the key properties of (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide?
(2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1R)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]-N-cyclopropylpyrrolidine-2-carboxamide is sourced from PubChem (CID 75411403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).