3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid

C12H21N3O4 — CID 62853219

IUPAC3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H21N3O4/c1-3-15(7-8(2)11(17)18)12(19)14-9-5-4-6-13-10(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyVKXIFMOLFOXMRR-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.02
Rot. Bonds5

About 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid

3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62853219) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
PubChem CID62853219
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)NC1CCCNC1=O
InChIInChI=1S/C12H21N3O4/c1-3-15(7-8(2)11(17)18)12(19)14-9-5-4-6-13-10(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyVKXIFMOLFOXMRR-UHFFFAOYSA-N
XLogP0.02
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55232480
2-methyl-4-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80541957
2-[(2-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 62094367
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
3-[(2-aminocyclohexyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62852844
1-[2-(dimethylamino)ethyl]-3-[(3R)-2-oxopiperidin-3-yl]-1-(thiophen-3-ylmethyl)urea
CID 125436471
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731
3-[ethyl-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 64668842
1-ethyl-1-(furan-2-ylmethyl)-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94058653
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
2-bromo-N-(2-oxopiperidin-3-yl)butanamide
CID 62856171
2-(methylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 62637894

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid (CID 62853219) is 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)NC1CCCNC1=O.
What is the InChIKey of 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is VKXIFMOLFOXMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-15(7-8(2)11(17)18)12(19)14-9-5-4-6-13-10(9)16/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid?
3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62853219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).