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

C13H23N3O2 — CID 54355584

IUPAC(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C13H23N3O2/c1-9(14)13(18)16-8-4-7-11(16)12(17)15-10-5-2-3-6-10/h9-11H,2-8,14H2,1H3,(H,15,17)/t9-,11-/m0/s1
InChIKeyUIWOHENEHNCQNH-ONGXEEELSA-N
MW253.35 g/mol
LogP0.38
Rot. Bonds3

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

(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide (PubChem CID 54355584) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
PubChem CID54355584
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
SMILESC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1
InChIInChI=1S/C13H23N3O2/c1-9(14)13(18)16-8-4-7-11(16)12(17)15-10-5-2-3-6-10/h9-11H,2-8,14H2,1H3,(H,15,17)/t9-,11-/m0/s1
InChIKeyUIWOHENEHNCQNH-ONGXEEELSA-N
XLogP0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291895
(2S)-1-[(2R)-2-acetylpyrrolidin-1-yl]-2-aminopropan-1-one
CID 59945910
(2R)-1-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid
CID 23423034
1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 65290967
(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 12718469
N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202503
(2S)-1-[(2R)-2-[[(2S)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 71419442
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726
1-(2-aminopropanoyl)azepane-2-carboxylic acid
CID 64564461
(2S)-1-N-cyclohexyl-2-N-cyclopropylpyrrolidine-1,2-dicarboxamide
CID 1445867

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide (CID 54355584) is (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide is C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide?
The InChIKey is UIWOHENEHNCQNH-ONGXEEELSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(14)13(18)16-8-4-7-11(16)12(17)15-10-5-2-3-6-10/h9-11H,2-8,14H2,1H3,(H,15,17)/t9-,11-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54355584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).