1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride

C12H22ClN3O2 — CID 119291895

IUPAC1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC[C@H](N)C(=O)N1CCCC1C(=O)NC1CC1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-2-9(13)12(17)15-7-3-4-10(15)11(16)14-8-5-6-8;/h8-10H,2-7,13H2,1H3,(H,14,16);1H/t9-,10?;/m0./s1
InChIKeyPDHLPHWDFWQYRR-KKFCBZOWSA-N
MW275.78 g/mol
LogP0.42
Rot. Bonds4

About 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride

1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119291895) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID119291895
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
SMILESCC[C@H](N)C(=O)N1CCCC1C(=O)NC1CC1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-2-9(13)12(17)15-7-3-4-10(15)11(16)14-8-5-6-8;/h8-10H,2-7,13H2,1H3,(H,14,16);1H/t9-,10?;/m0./s1
InChIKeyPDHLPHWDFWQYRR-KKFCBZOWSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminohexanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 54870726
1-[(2R)-2-aminopropanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119291892
1-[(2S)-2-amino-3-methylbutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide
CID 61163718
1-(2-amino-5-methoxypentanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 81083197
(2S)-1-[(2S)-2-aminobutanoyl]-N-[(1R)-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide
CID 163942353
1-(2-aminobutanoyl)-N-butylpyrrolidine-2-carboxamide
CID 22451228
(2S)-1-[(2S)-2-aminopropanoyl]-N-cyclopentylpyrrolidine-2-carboxamide
CID 54355584
1-(6-amino-2-methylheptanoyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 65290967
N-cyclopropyl-1-[2-methyl-3-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 79202503
methyl 1-(2-aminobutanoyl)piperidine-2-carboxylate
CID 60938498
(2S)-1-acetyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 143443492
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride (CID 119291895) is 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride is CC[C@H](N)C(=O)N1CCCC1C(=O)NC1CC1.Cl.
What is the InChIKey of 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PDHLPHWDFWQYRR-KKFCBZOWSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-2-9(13)12(17)15-7-3-4-10(15)11(16)14-8-5-6-8;/h8-10H,2-7,13H2,1H3,(H,14,16);1H/t9-,10?;/m0./s1.
What are the key properties of 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride?
1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminobutanoyl]-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119291895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).