1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide

C10H19N3O2 — CID 61148979

IUPAC1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7?,8-/m0/s1
InChIKeyAGVCUVJROUBIKP-MQWKRIRWSA-N
MW213.28 g/mol
LogP-0.55
Rot. Bonds3

About 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide

1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 61148979) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID61148979
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)[C@H](N)C(=O)N1CCCC1C(N)=O
InChIInChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7?,8-/m0/s1
InChIKeyAGVCUVJROUBIKP-MQWKRIRWSA-N
XLogP-0.55
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 177223848
(2S)-1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
CID 12919066
1-(2,3,3-trimethylbutanoyl)pyrrolidine-2-carboxamide
CID 123334785
1-(2-amino-3-methylbutanoyl)azepane-2-carboxylic acid
CID 64562703
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-(3-methyl-2-sulfanylbutanoyl)piperidine-2-carboxamide
CID 107026089
1-[(2R)-2-amino-3-methylbutanoyl]-N-methylpiperidine-2-carboxamide
CID 79013406
(2S)-2-[[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 15515688
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418
1-(2-amino-3,3-dimethylbutanoyl)piperidine-2-carboxamide
CID 76894481
2-[[1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 18232493

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide (CID 61148979) is 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide is CC(C)[C@H](N)C(=O)N1CCCC1C(N)=O.
What is the InChIKey of 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is AGVCUVJROUBIKP-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(2)8(11)10(15)13-5-3-4-7(13)9(12)14/h6-8H,3-5,11H2,1-2H3,(H2,12,14)/t7?,8-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide?
1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61148979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).