6-(prop-2-enylcarbamoylamino)hexanoic acid

C10H18N2O3 — CID 61193746

IUPAC6-(prop-2-enylcarbamoylamino)hexanoic acid
SMILESC=CCNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-7-11-10(15)12-8-5-3-4-6-9(13)14/h2H,1,3-8H2,(H,13,14)(H2,11,12,15)
InChIKeyCPAXXRUNBVYXDL-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.12
Rot. Bonds8

About 6-(prop-2-enylcarbamoylamino)hexanoic acid

6-(prop-2-enylcarbamoylamino)hexanoic acid (PubChem CID 61193746) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 6-(prop-2-enylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name6-(prop-2-enylcarbamoylamino)hexanoic acid
PubChem CID61193746
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name6-(prop-2-enylcarbamoylamino)hexanoic acid
SMILESC=CCNC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-2-7-11-10(15)12-8-5-3-4-6-9(13)14/h2H,1,3-8H2,(H,13,14)(H2,11,12,15)
InChIKeyCPAXXRUNBVYXDL-UHFFFAOYSA-N
XLogP1.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(prop-2-enylcarbamoylamino)hexanoic acid?
The IUPAC name of 6-(prop-2-enylcarbamoylamino)hexanoic acid (CID 61193746) is 6-(prop-2-enylcarbamoylamino)hexanoic acid.
What is the SMILES notation for 6-(prop-2-enylcarbamoylamino)hexanoic acid?
The canonical SMILES for 6-(prop-2-enylcarbamoylamino)hexanoic acid is C=CCNC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(prop-2-enylcarbamoylamino)hexanoic acid?
The InChIKey is CPAXXRUNBVYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-7-11-10(15)12-8-5-3-4-6-9(13)14/h2H,1,3-8H2,(H,13,14)(H2,11,12,15).
What are the key properties of 6-(prop-2-enylcarbamoylamino)hexanoic acid?
6-(prop-2-enylcarbamoylamino)hexanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.12, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 61193746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).