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

C11H20N4O4 — CID 83114282

IUPAC1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCNC(N)=O)CC1
InChIInChI=1S/C11H20N4O4/c1-11(8(16)17)2-6-15(7-3-11)10(19)14-5-4-13-9(12)18/h2-7H2,1H3,(H,14,19)(H,16,17)(H3,12,13,18)
InChIKeyKIVPTYOGLRBCME-UHFFFAOYSA-N
MW272.31 g/mol
LogP-0.45
Rot. Bonds4

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

1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid (PubChem CID 83114282) has the molecular formula C11H20N4O4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
PubChem CID83114282
Molecular FormulaC11H20N4O4
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)NCCNC(N)=O)CC1
InChIInChI=1S/C11H20N4O4/c1-11(8(16)17)2-6-15(7-3-11)10(19)14-5-4-13-9(12)18/h2-7H2,1H3,(H,14,19)(H,16,17)(H3,12,13,18)
InChIKeyKIVPTYOGLRBCME-UHFFFAOYSA-N
XLogP-0.45
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 63124361
4-methyl-1-(2-thiomorpholin-4-ylethylcarbamoyl)piperidine-4-carboxylic acid
CID 106326529
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 55176607
4-methyl-1-(prop-2-ynylcarbamoyl)piperidine-4-carboxylic acid
CID 63123476
1-(2-carbamoyloxyethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 83203614
1-(hex-5-ynylcarbamoyl)-4-methylpiperidine-4-carboxylic acid
CID 106215938
4-methyl-1-[[2-(methylamino)-2-oxoethyl]carbamoyl]piperidine-4-carboxylic acid
CID 63123818
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
1-[(1-amino-2-methyl-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124592
1-[(1-methoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124044
4-methyl-1-(2H-tetrazol-5-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63124713
3-methyl-1-(2-pyrrolidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55166161

Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid (CID 83114282) is 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)NCCNC(N)=O)CC1.
What is the InChIKey of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
The InChIKey is KIVPTYOGLRBCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4/c1-11(8(16)17)2-6-15(7-3-11)10(19)14-5-4-13-9(12)18/h2-7H2,1H3,(H,14,19)(H,16,17)(H3,12,13,18).
What are the key properties of 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid?
1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of -0.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)ethylcarbamoyl]-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 83114282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).