(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide

C13H23N3O2 — CID 143684092

IUPAC(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CNC1CCCCC1
InChIInChI=1S/C13H23N3O2/c14-13(18)11-7-4-8-16(11)12(17)9-15-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H2,14,18)/t11-/m0/s1
InChIKeyXHTMUTFNGHHFBK-NSHDSACASA-N
MW253.35 g/mol
LogP0.38
Rot. Bonds4

About (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide (PubChem CID 143684092) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
PubChem CID143684092
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C(=O)CNC1CCCCC1
InChIInChI=1S/C13H23N3O2/c14-13(18)11-7-4-8-16(11)12(17)9-15-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H2,14,18)/t11-/m0/s1
InChIKeyXHTMUTFNGHHFBK-NSHDSACASA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
(2S)-1-[2-(cyclopropylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 61174194
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
(2R)-1-[2-[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetyl]piperidine-2-carboxamide
CID 95607404
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
2-(cyclopentylamino)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 55040519
(2S)-1-(2-bromoacetyl)pyrrolidine-2-carboxamide
CID 11042691
1-(2-cyclopropylacetyl)pyrrolidine-2-carboxamide
CID 89120166
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
CID 79285269

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide (CID 143684092) is (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C(=O)CNC1CCCCC1.
What is the InChIKey of (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide?
The InChIKey is XHTMUTFNGHHFBK-NSHDSACASA-N. The full InChI is InChI=1S/C13H23N3O2/c14-13(18)11-7-4-8-16(11)12(17)9-15-10-5-2-1-3-6-10/h10-11,15H,1-9H2,(H2,14,18)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 143684092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).