2-amino-4-hydroxy-2-methylhexanoic acid

C7H15NO3 — CID 87771326

IUPAC2-amino-4-hydroxy-2-methylhexanoic acid
SMILESCCC(O)CC(C)(N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-5(9)4-7(2,8)6(10)11/h5,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyDUHVVSKFVTXJOO-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.05
Rot. Bonds4

About 2-amino-4-hydroxy-2-methylhexanoic acid

2-amino-4-hydroxy-2-methylhexanoic acid (PubChem CID 87771326) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-amino-4-hydroxy-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-2-methylhexanoic acid
PubChem CID87771326
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-amino-4-hydroxy-2-methylhexanoic acid
SMILESCCC(O)CC(C)(N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-3-5(9)4-7(2,8)6(10)11/h5,9H,3-4,8H2,1-2H3,(H,10,11)
InChIKeyDUHVVSKFVTXJOO-UHFFFAOYSA-N
XLogP-0.05
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-ethyl-2-methylhexanoic acid;hydrochloride
CID 175042752
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
2-amino-2,4-dimethylpentanedioic acid
CID 87224787
4-hydroxy-2-methyl-2-propylhexanoic acid
CID 79425025
(2S)-2-amino-2-methylbutanoic acid
CID 6971276
5-hydroxy-3,3-dimethylheptanoic acid
CID 18717526
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
2-amino-4-(4-butan-2-ylpiperazin-1-yl)-2-methylpentanoic acid
CID 64703146
2-amino-4-[bis(2-methoxyethyl)amino]-2-methylpentanoic acid
CID 64709529
2-amino-2-methyl-4-[2-methylpropyl(pentan-3-yl)amino]pentanoic acid
CID 79489528
2-amino-2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]hexanoic acid
CID 150251165

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-2-methylhexanoic acid?
The IUPAC name of 2-amino-4-hydroxy-2-methylhexanoic acid (CID 87771326) is 2-amino-4-hydroxy-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-2-methylhexanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-2-methylhexanoic acid is CCC(O)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-2-methylhexanoic acid?
The InChIKey is DUHVVSKFVTXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-3-5(9)4-7(2,8)6(10)11/h5,9H,3-4,8H2,1-2H3,(H,10,11).
What are the key properties of 2-amino-4-hydroxy-2-methylhexanoic acid?
2-amino-4-hydroxy-2-methylhexanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-2-methylhexanoic acid is sourced from PubChem (CID 87771326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).