(2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide

C13H23N3O2 — CID 56705186

IUPAC(2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESC=CCCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C13H23N3O2/c1-4-5-6-12(17)16-8-10(14)7-11(16)13(18)15-9(2)3/h4,9-11H,1,5-8,14H2,2-3H3,(H,15,18)/t10-,11+/m1/s1
InChIKeyWRACOLRHCDNKBI-MNOVXSKESA-N
MW253.35 g/mol
LogP0.41
Rot. Bonds5

About (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 56705186) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID56705186
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESC=CCCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C
InChIInChI=1S/C13H23N3O2/c1-4-5-6-12(17)16-8-10(14)7-11(16)13(18)15-9(2)3/h4,9-11H,1,5-8,14H2,2-3H3,(H,15,18)/t10-,11+/m1/s1
InChIKeyWRACOLRHCDNKBI-MNOVXSKESA-N
XLogP0.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
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

(2S,4S)-4-amino-1-[3-(2-oxoazepan-1-yl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56714545
(2S,4R)-4-amino-1-[3-(2-methoxyphenyl)propanoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56716009
(2S,4R)-4-amino-1-(3-benzylsulfanylpropanoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 70745968
(2S,4R)-4-amino-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 118760260
(2S,4R)-4-amino-1-(3,4-dimethylbenzoyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713460
(2S,4R)-4-amino-1-(6-oxo-1H-pyridine-2-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704258
(2S,4S)-4-amino-N-propan-2-yl-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-2-carboxamide
CID 56712494
(2S,4S)-4-amino-1-(1-methylindazole-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713767
(2S,4S)-4-amino-1-[1-methyl-3-(2-methylpropyl)pyrazole-5-carbonyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56704892
(2S,4S)-4-amino-1-(5-methyl-2-phenylfuran-3-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56718069
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
(2S,4S)-4-amino-1-(2-cyclopropyl-4-methylpyrimidine-5-carbonyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 56713832

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide (CID 56705186) is (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide is C=CCCC(=O)N1C[C@H](N)C[C@H]1C(=O)NC(C)C.
What is the InChIKey of (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is WRACOLRHCDNKBI-MNOVXSKESA-N. The full InChI is InChI=1S/C13H23N3O2/c1-4-5-6-12(17)16-8-10(14)7-11(16)13(18)15-9(2)3/h4,9-11H,1,5-8,14H2,2-3H3,(H,15,18)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 253.35 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,4R)-4-amino-1-pent-4-enoyl-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56705186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).