2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid

C12H21N3O4 — CID 54987589

IUPAC2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-9(11(17)18)14-12(19)15(7-10(13)16)8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyBDHWXBYMTJMTRT-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.29
Rot. Bonds6

About 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid

2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid (PubChem CID 54987589) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
PubChem CID54987589
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(CC(N)=O)C1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O4/c1-2-9(11(17)18)14-12(19)15(7-10(13)16)8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18)
InChIKeyBDHWXBYMTJMTRT-UHFFFAOYSA-N
XLogP0.29
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-amino-2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826230
2-[[cycloheptyl(methyl)carbamoyl]amino]butanoic acid
CID 61201094
2-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]butanoic acid
CID 102865173
4-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 80541892
4-amino-2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61194306
2-[[cyclohexyl(ethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61190467
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methylbutanoic acid
CID 79801359
2-[[cyclopentyl(ethyl)carbamoyl]amino]-4-hydroxybutanoic acid
CID 61227565
(2R)-4-amino-2-[[cyclohexyl(2-hydroxyethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827056
(2R)-2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976340
3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109953
(2S)-5-amino-2-[[cyclopentyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61195271

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid (CID 54987589) is 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid is CCC(NC(=O)N(CC(N)=O)C1CCCC1)C(=O)O.
What is the InChIKey of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid?
The InChIKey is BDHWXBYMTJMTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-2-9(11(17)18)14-12(19)15(7-10(13)16)8-5-3-4-6-8/h8-9H,2-7H2,1H3,(H2,13,16)(H,14,19)(H,17,18).
What are the key properties of 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid?
2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 54987589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).