2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid

C10H17N3O4 — CID 62094367

IUPAC2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)NC1CCCNC1=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-6(9(15)16)12-10(17)13-7-4-3-5-11-8(7)14/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyQUNUXSSMYNQVEW-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.57
Rot. Bonds4

About 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid

2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 62094367) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
PubChem CID62094367
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESCCC(NC(=O)NC1CCCNC1=O)C(=O)O
InChIInChI=1S/C10H17N3O4/c1-2-6(9(15)16)12-10(17)13-7-4-3-5-11-8(7)14/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyQUNUXSSMYNQVEW-UHFFFAOYSA-N
XLogP-0.57
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80541957
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
2-methoxy-N-(2-oxopiperidin-3-yl)butanamide
CID 47478755
3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62853219
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
1-cyclohexyl-3-(2-oxopiperidin-3-yl)urea
CID 110472697
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
1-[(1R)-1-(4-ethylsulfanylphenyl)ethyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 95572654
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid (CID 62094367) is 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid is CCC(NC(=O)NC1CCCNC1=O)C(=O)O.
What is the InChIKey of 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is QUNUXSSMYNQVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-2-6(9(15)16)12-10(17)13-7-4-3-5-11-8(7)14/h6-7H,2-5H2,1H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 243.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 62094367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).