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

C11H19N3O4 — CID 106741731

IUPAC1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(NC(N)=O)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H19N3O4/c1-6-5-8(10(16)17)3-4-14(6)9(15)7(2)13-11(12)18/h6-8H,3-5H2,1-2H3,(H,16,17)(H3,12,13,18)
InChIKeySXVDPZQQROFCOD-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.25
Rot. Bonds3

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

1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106741731) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106741731
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC(NC(N)=O)C(=O)N1CCC(C(=O)O)CC1C
InChIInChI=1S/C11H19N3O4/c1-6-5-8(10(16)17)3-4-14(6)9(15)7(2)13-11(12)18/h6-8H,3-5H2,1-2H3,(H,16,17)(H3,12,13,18)
InChIKeySXVDPZQQROFCOD-UHFFFAOYSA-N
XLogP-0.25
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid (CID 106741731) is 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid is CC(NC(N)=O)C(=O)N1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is SXVDPZQQROFCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6-5-8(10(16)17)3-4-14(6)9(15)7(2)13-11(12)18/h6-8H,3-5H2,1-2H3,(H,16,17)(H3,12,13,18).
What are the key properties of 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid?
1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106741731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).