3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid

C12H21N3O4 — CID 55233082

IUPAC3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NC1CCC(=O)NC1)C(C)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-15(8(2)6-11(17)18)12(19)14-9-4-5-10(16)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyWUEVQUNGMYKDMA-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds5

About 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid

3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid (PubChem CID 55233082) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
PubChem CID55233082
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)NC1CCC(=O)NC1)C(C)CC(=O)O
InChIInChI=1S/C12H21N3O4/c1-3-15(8(2)6-11(17)18)12(19)14-9-4-5-10(16)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18)
InChIKeyWUEVQUNGMYKDMA-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-1-methyl-3-(6-oxopiperidin-3-yl)urea
CID 78917410
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 55232480
1,1-dimethyl-3-(6-oxopiperidin-3-yl)urea
CID 78916658
2-[tert-butyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]acetic acid
CID 79257016
2-[butan-2-yl-[(5-oxopyrrolidin-3-yl)carbamoyl]amino]acetic acid
CID 106191651
(6-oxopiperidin-3-yl)carbamic acid
CID 77299994
3-[ethyl-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]amino]butanoic acid
CID 106257764
4-[(5-oxopyrrolidin-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 106192096
2-(methylamino)-N-(6-oxopiperidin-3-yl)propanamide
CID 63663000
3-[ethyl-[(3-ethyl-2-methylcyclopentyl)carbamoyl]amino]butanoic acid
CID 64916232
2-[(6-oxopiperidin-3-yl)amino]-N-pentan-3-ylpropanamide
CID 63662471
2-(carbamoylamino)-3-methyl-N-(6-oxopiperidin-3-yl)pentanamide
CID 63373433

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid (CID 55233082) is 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid is CCN(C(=O)NC1CCC(=O)NC1)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid?
The InChIKey is WUEVQUNGMYKDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-3-15(8(2)6-11(17)18)12(19)14-9-4-5-10(16)13-7-9/h8-9H,3-7H2,1-2H3,(H,13,16)(H,14,19)(H,17,18).
What are the key properties of 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid?
3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(6-oxopiperidin-3-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 55233082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).