(2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide

C14H27N3O2 — CID 10707109

IUPAC(2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H27N3O2/c1-4-5-8-16-13(18)11-7-6-9-17(11)14(19)12(15)10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyNBKPAYJLRSYHSE-NEPJUHHUSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds6

About (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide

(2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide (PubChem CID 10707109) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide
PubChem CID10707109
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide
SMILESCCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H27N3O2/c1-4-5-8-16-13(18)11-7-6-9-17(11)14(19)12(15)10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11-,12+/m1/s1
InChIKeyNBKPAYJLRSYHSE-NEPJUHHUSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Brivaracetam
CID 9837243
Pramiracetam
CID 51712
Fasoracetam
CID 198695
Melanostatin
CID 92910
Gancidin W
CID 7074739
Valine-pyrrolidide
CID 447256
Elastins
CID 439221
3-Isobutylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 102892
Cyclo(L-leucyl-L-leucyl)
CID 192731
cyclo(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
Cyclo(alanyl-leucyl)
CID 13879946

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide (CID 10707109) is (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide is CCCCNC(=O)[C@H]1CCCN1C(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide?
The InChIKey is NBKPAYJLRSYHSE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-5-8-16-13(18)11-7-6-9-17(11)14(19)12(15)10(2)3/h10-12H,4-9,15H2,1-3H3,(H,16,18)/t11-,12+/m1/s1.
What are the key properties of (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide?
(2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-amino-3-methylbutanoyl]-N-butylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10707109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).