3-(hexylcarbamoylamino)propanoic acid

C10H20N2O3 — CID 2824978

IUPAC3-(hexylcarbamoylamino)propanoic acid
SMILESCCCCCCNC(=O)NCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-7-11-10(15)12-8-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyPUTUIPMEMDIVCT-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.34
Rot. Bonds8

About 3-(hexylcarbamoylamino)propanoic acid

3-(hexylcarbamoylamino)propanoic acid (PubChem CID 2824978) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(hexylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name3-(hexylcarbamoylamino)propanoic acid
PubChem CID2824978
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(hexylcarbamoylamino)propanoic acid
SMILESCCCCCCNC(=O)NCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-2-3-4-5-7-11-10(15)12-8-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyPUTUIPMEMDIVCT-UHFFFAOYSA-N
XLogP1.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(hexylcarbamoylamino)propanoic acid?
The IUPAC name of 3-(hexylcarbamoylamino)propanoic acid (CID 2824978) is 3-(hexylcarbamoylamino)propanoic acid.
What is the SMILES notation for 3-(hexylcarbamoylamino)propanoic acid?
The canonical SMILES for 3-(hexylcarbamoylamino)propanoic acid is CCCCCCNC(=O)NCCC(=O)O.
What is the InChIKey of 3-(hexylcarbamoylamino)propanoic acid?
The InChIKey is PUTUIPMEMDIVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-2-3-4-5-7-11-10(15)12-8-6-9(13)14/h2-8H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(hexylcarbamoylamino)propanoic acid?
3-(hexylcarbamoylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexylcarbamoylamino)propanoic acid is sourced from PubChem (CID 2824978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).