6-(prop-2-enoxycarbonylamino)hexanoic acid

C10H17NO4 — CID 60675511

IUPAC6-(prop-2-enoxycarbonylamino)hexanoic acid
SMILESC=CCOC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-2-8-15-10(14)11-7-5-3-4-6-9(12)13/h2H,1,3-8H2,(H,11,14)(H,12,13)
InChIKeyJSBBHUZCMWGHPR-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.54
Rot. Bonds8

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

6-(prop-2-enoxycarbonylamino)hexanoic acid (PubChem CID 60675511) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-(prop-2-enoxycarbonylamino)hexanoic acid.

Molecular Properties

Compound Name6-(prop-2-enoxycarbonylamino)hexanoic acid
PubChem CID60675511
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name6-(prop-2-enoxycarbonylamino)hexanoic acid
SMILESC=CCOC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-2-8-15-10(14)11-7-5-3-4-6-9(12)13/h2H,1,3-8H2,(H,11,14)(H,12,13)
InChIKeyJSBBHUZCMWGHPR-UHFFFAOYSA-N
XLogP1.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(prop-2-enoxycarbonylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

prop-2-enyl N-(4-acetamidobutyl)carbamate
CID 54178304
prop-2-enyl N-[12-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylamino]-12-oxododecyl]carbamate
CID 11634440
6-(2-hydroxyethoxycarbonylamino)hexanoic acid
CID 170252830
nonyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91739004
hexadecyl 6-(prop-2-enoxycarbonylamino)hexanoate
CID 91743644
6-(methoxycarbonylamino)hexanoic acid
CID 22382374
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
15-(prop-2-enoylamino)pentadecanoic acid
CID 71528159
prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
N-methylpentan-1-amine;prop-2-enyl N-pentylcarbamate
CID 158116077
6-[2-(2-methylprop-2-enoyloxy)ethoxycarbonylamino]hexanoic acid
CID 143847677
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562

Frequently Asked Questions

What is the IUPAC name of 6-(prop-2-enoxycarbonylamino)hexanoic acid?
The IUPAC name of 6-(prop-2-enoxycarbonylamino)hexanoic acid (CID 60675511) is 6-(prop-2-enoxycarbonylamino)hexanoic acid.
What is the SMILES notation for 6-(prop-2-enoxycarbonylamino)hexanoic acid?
The canonical SMILES for 6-(prop-2-enoxycarbonylamino)hexanoic acid is C=CCOC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-(prop-2-enoxycarbonylamino)hexanoic acid?
The InChIKey is JSBBHUZCMWGHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-8-15-10(14)11-7-5-3-4-6-9(12)13/h2H,1,3-8H2,(H,11,14)(H,12,13).
What are the key properties of 6-(prop-2-enoxycarbonylamino)hexanoic acid?
6-(prop-2-enoxycarbonylamino)hexanoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(prop-2-enoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 60675511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).