(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide

C13H23N3O2 — CID 45086901

IUPAC(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)NC(=O)[C@@H]1CCCN1C1CCCC1
InChIInChI=1S/C13H23N3O2/c1-9(14)12(17)15-13(18)11-7-4-8-16(11)10-5-2-3-6-10/h9-11H,2-8,14H2,1H3,(H,15,17,18)/t9-,11-/m0/s1
InChIKeyUVRYWUYZGFMCRA-ONGXEEELSA-N
MW253.35 g/mol
LogP0.38
Rot. Bonds3

About (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide

(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide (PubChem CID 45086901) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide
PubChem CID45086901
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)NC(=O)[C@@H]1CCCN1C1CCCC1
InChIInChI=1S/C13H23N3O2/c1-9(14)12(17)15-13(18)11-7-4-8-16(11)10-5-2-3-6-10/h9-11H,2-8,14H2,1H3,(H,15,17,18)/t9-,11-/m0/s1
InChIKeyUVRYWUYZGFMCRA-ONGXEEELSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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 ≤ 104

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Related Compounds

1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
CID 114762479
N-carbamoyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 79195257
N-[(1R)-1-cyclopentylethyl]-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 81389308
methyl 2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 61020231
(2R)-2-amino-N-(1-cyclopentylpiperidin-4-yl)propanamide
CID 119846668
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
(2S)-1-cyclohexylpyrrolidine-2-carboxylic acid;hydrochloride
CID 141195485
(2S)-2-[(1-piperidin-4-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 78967717
methyl (2S)-1-cycloheptylpyrrolidine-2-carboxylate;propane
CID 178021629
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
1-(4-propan-2-ylcyclohexyl)pyrrolidine-2-carboxylic acid
CID 65056479

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide (CID 45086901) is (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide is C[C@H](N)C(=O)NC(=O)[C@@H]1CCCN1C1CCCC1.
What is the InChIKey of (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide?
The InChIKey is UVRYWUYZGFMCRA-ONGXEEELSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(14)12(17)15-13(18)11-7-4-8-16(11)10-5-2-3-6-10/h9-11H,2-8,14H2,1H3,(H,15,17,18)/t9-,11-/m0/s1.
What are the key properties of (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide?
(2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-2-aminopropanoyl]-1-cyclopentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45086901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).