3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid

C12H24N2O3 — CID 62852815

IUPAC3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCCCCN
InChIInChI=1S/C12H24N2O3/c1-3-14(9-10(2)12(16)17)11(15)7-5-4-6-8-13/h10H,3-9,13H2,1-2H3,(H,16,17)
InChIKeySTOSJGFCQDOROZ-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.07
Rot. Bonds9

About 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid

3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid (PubChem CID 62852815) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
PubChem CID62852815
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCCCCN
InChIInChI=1S/C12H24N2O3/c1-3-14(9-10(2)12(16)17)11(15)7-5-4-6-8-13/h10H,3-9,13H2,1-2H3,(H,16,17)
InChIKeySTOSJGFCQDOROZ-UHFFFAOYSA-N
XLogP1.07
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic 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

3-[(2-aminoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62852267
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
7-amino-N-(2-cyanopropyl)-N-ethylheptanamide
CID 54873246
6-amino-N-ethyl-N-(2-hydroxyethyl)hexanamide
CID 60944687
3-[ethyl(3-ethylsulfanylpropanoyl)amino]-2-methylpropanoic acid
CID 115731435
7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
4-amino-N-(2-cyanopropyl)-N-ethylbutanamide
CID 60962664
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033
N,N-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N-(3-aminopropyl)-N-ethyldecanamide
CID 65447961
12-(diethylamino)-12-oxododecanoic acid
CID 19794003

Frequently Asked Questions

What is the IUPAC name of 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid (CID 62852815) is 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CCCCCN.
What is the InChIKey of 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid?
The InChIKey is STOSJGFCQDOROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-14(9-10(2)12(16)17)11(15)7-5-4-6-8-13/h10H,3-9,13H2,1-2H3,(H,16,17).
What are the key properties of 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid?
3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid has a molecular weight of 244.33 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-aminohexanoyl(ethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62852815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).