1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid

C11H19N3O4 — CID 63124488

IUPAC1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(C(=O)NC(N)=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-7(8(15)13-10(12)18)14-5-3-11(2,4-6-14)9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H3,12,13,15,18)
InChIKeyLFWDGVCXFQPNHZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.24
Rot. Bonds3

About 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid

1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 63124488) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
PubChem CID63124488
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
SMILESCC(C(=O)NC(N)=O)N1CCC(C)(C(=O)O)CC1
InChIInChI=1S/C11H19N3O4/c1-7(8(15)13-10(12)18)14-5-3-11(2,4-6-14)9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H3,12,13,15,18)
InChIKeyLFWDGVCXFQPNHZ-UHFFFAOYSA-N
XLogP-0.24
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-carbamoyl-2-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107407893
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 63124464
4-methyl-1-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124532
N-carbamoyl-2-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874185
4-methyl-1-[1-oxo-1-(pentylamino)propan-2-yl]piperidine-4-carboxylic acid
CID 63124499
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxylic acid
CID 113431131
2-[4-(1-aminopropan-2-yl)piperazin-1-yl]-N-carbamoylpropanamide
CID 63339692
N-carbamoyl-2-[4-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 55256660
2-[4-(2-aminoethyl)piperazin-1-yl]-N-carbamoylpropanamide
CID 43252611
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-carbamoylpropanamide
CID 120776742
3-methyl-1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]pyrrolidine-3-carboxylic acid
CID 63147805
3-[1-[1-(carbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]propanoic acid
CID 62216175

Frequently Asked Questions

What is the IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid (CID 63124488) is 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid is CC(C(=O)NC(N)=O)N1CCC(C)(C(=O)O)CC1.
What is the InChIKey of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is LFWDGVCXFQPNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(8(15)13-10(12)18)14-5-3-11(2,4-6-14)9(16)17/h7H,3-6H2,1-2H3,(H,16,17)(H3,12,13,15,18).
What are the key properties of 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid?
1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(carbamoylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63124488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).