(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide

C14H23N3O2 — CID 163942353

IUPAC(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide
SMILESC=CC1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC
InChIInChI=1S/C14H23N3O2/c1-3-9-8-11(9)16-13(18)12-6-5-7-17(12)14(19)10(15)4-2/h3,9-12H,1,4-8,15H2,2H3,(H,16,18)/t9?,10-,11+,12-/m0/s1
InChIKeyRSCAIKIHZRYFGG-YATPEIPISA-N
MW265.36 g/mol
LogP0.41
Rot. Bonds5

About (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide (PubChem CID 163942353) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide
PubChem CID163942353
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide
SMILESC=CC1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC
InChIInChI=1S/C14H23N3O2/c1-3-9-8-11(9)16-13(18)12-6-5-7-17(12)14(19)10(15)4-2/h3,9-12H,1,4-8,15H2,2H3,(H,16,18)/t9?,10-,11+,12-/m0/s1
InChIKeyRSCAIKIHZRYFGG-YATPEIPISA-N
XLogP0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291895
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
(2S)-N-[(2S)-2-ethenylcyclopropyl]-1-[(2S)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 143879768
1-(2,4-diamino-4-oxobutanoyl)-N-methylpyrrolidine-2-carboxamide
CID 60954201
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
ethyl 2-[(2S)-1-(2-amino-3-cyclopentylpropanoyl)pyrrolidin-2-yl]-2-oxoacetate
CID 173252396
methyl (2S)-2-[[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 167596044
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide (CID 163942353) is (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide is C=CC1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC.
What is the InChIKey of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide?
The InChIKey is RSCAIKIHZRYFGG-YATPEIPISA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-9-8-11(9)16-13(18)12-6-5-7-17(12)14(19)10(15)4-2/h3,9-12H,1,4-8,15H2,2H3,(H,16,18)/t9?,10-,11+,12-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163942353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).