2-[2-(aminomethyl)butanoylamino]hexanoic acid

C11H22N2O3 — CID 65229403

IUPAC2-[2-(aminomethyl)butanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)C(CC)CN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-6-9(11(15)16)13-10(14)8(4-2)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYDJAMHHJSXRLTI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds8

About 2-[2-(aminomethyl)butanoylamino]hexanoic acid

2-[2-(aminomethyl)butanoylamino]hexanoic acid (PubChem CID 65229403) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[2-(aminomethyl)butanoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)butanoylamino]hexanoic acid
PubChem CID65229403
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[2-(aminomethyl)butanoylamino]hexanoic acid
SMILESCCCCC(NC(=O)C(CC)CN)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-3-5-6-9(11(15)16)13-10(14)8(4-2)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyYDJAMHHJSXRLTI-UHFFFAOYSA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[2-(aminomethyl)butanoylamino]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

2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
CID 43125486
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
2-[2-(aminomethyl)butanoylamino]-4-methylpentanoic acid
CID 65227373
2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106112321
(2S)-2-[(3-amino-2-methoxypropanoyl)amino]hexanoic acid
CID 106114110
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
CID 78975573
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)butanoylamino]hexanoic acid?
The IUPAC name of 2-[2-(aminomethyl)butanoylamino]hexanoic acid (CID 65229403) is 2-[2-(aminomethyl)butanoylamino]hexanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)butanoylamino]hexanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)butanoylamino]hexanoic acid is CCCCC(NC(=O)C(CC)CN)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)butanoylamino]hexanoic acid?
The InChIKey is YDJAMHHJSXRLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-6-9(11(15)16)13-10(14)8(4-2)7-12/h8-9H,3-7,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(aminomethyl)butanoylamino]hexanoic acid?
2-[2-(aminomethyl)butanoylamino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)butanoylamino]hexanoic acid is sourced from PubChem (CID 65229403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).