2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid

C14H32N4O6 — CID 134498340

IUPAC2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid
SMILESCC(C)C(N)C(=O)O.CC(N)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H11NO2.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)
InChIKeyHLALFGYCILKCAJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP-1.00
Rot. Bonds8

About 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid

2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid (PubChem CID 134498340) has the molecular formula C14H32N4O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid.

Molecular Properties

Compound Name2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid
PubChem CID134498340
Molecular FormulaC14H32N4O6
Molecular Weight352.43 g/mol
Exact Mass352.23
IUPAC Name2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid
SMILESCC(C)C(N)C(=O)O.CC(N)C(=O)O.NCCCCC(N)C(=O)O
InChIInChI=1S/C6H14N2O2.C5H11NO2.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6)
InChIKeyHLALFGYCILKCAJ-UHFFFAOYSA-N
XLogP-1.00
TPSA215.98 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.43
LogP ≤ 5-1.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic 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

(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid
CID 173126229
2-aminoacetic acid;(2S)-2-aminobutanedioic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 173198140
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,13-diaminotridecanoic acid
CID 141414897
sodium 2,6-diaminohexanoic acid
CID 18320454
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
CID 158432126
CID 158432126
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
(2S)-2,6-bis(15N)(azanyl)hexanoic acid;dihydrochloride
CID 163409206

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid?
The IUPAC name of 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid (CID 134498340) is 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid.
What is the SMILES notation for 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid?
The canonical SMILES for 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid is CC(C)C(N)C(=O)O.CC(N)C(=O)O.NCCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid?
The InChIKey is HLALFGYCILKCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H11NO2.C3H7NO2/c7-4-2-1-3-5(8)6(9)10;1-3(2)4(6)5(7)8;1-2(4)3(5)6/h5H,1-4,7-8H2,(H,9,10);3-4H,6H2,1-2H3,(H,7,8);2H,4H2,1H3,(H,5,6).
What are the key properties of 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid?
2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid has a molecular weight of 352.43 g/mol, XLogP of -1.00, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylbutanoic acid;2-aminopropanoic acid;2,6-diaminohexanoic acid is sourced from PubChem (CID 134498340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).