2-amino-4-hydroxy-3,3-dimethylpentanoic acid

C7H15NO3 — CID 11997558

IUPAC2-amino-4-hydroxy-3,3-dimethylpentanoic acid
SMILESCC(O)C(C)(C)C(N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(9)7(2,3)5(8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11)
InChIKeyOOUDXFAQGCYIDA-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.19
Rot. Bonds3

About 2-amino-4-hydroxy-3,3-dimethylpentanoic acid

2-amino-4-hydroxy-3,3-dimethylpentanoic acid (PubChem CID 11997558) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-amino-4-hydroxy-3,3-dimethylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-hydroxy-3,3-dimethylpentanoic acid
PubChem CID11997558
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-amino-4-hydroxy-3,3-dimethylpentanoic acid
SMILESCC(O)C(C)(C)C(N)C(=O)O
InChIInChI=1S/C7H15NO3/c1-4(9)7(2,3)5(8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11)
InChIKeyOOUDXFAQGCYIDA-UHFFFAOYSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
2-amino-4-hydroxy-3,3-dimethylbutanoic acid;2-hydroxypropanoic acid
CID 174434996
2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
CID 54200597
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
CID 175737812
tetrakis((2S)-2-amino-3-methyl-3-sulfanylbutanoic acid);sulfane
CID 173050737
(2S,3S)-3-amino-2-hydroxy-2-propan-2-ylbutanedioic acid
CID 10857188
bis((2R)-2-amino-3-methyl-3-sulfanylbutanoic acid);mercury;sulfane
CID 173462825
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182
(2R)-2-aminopropanoic acid
CID 18611140
(2S,3R)-2-amino-4,4,4-trideuterio-3-methyl-3-sulfanylbutanoic acid
CID 25240785
(2S)-2-amino-3-(1-amino-1-oxopropan-2-yl)sulfanyl-3-methylbutanoic acid
CID 106443509

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-hydroxy-3,3-dimethylpentanoic acid?
The IUPAC name of 2-amino-4-hydroxy-3,3-dimethylpentanoic acid (CID 11997558) is 2-amino-4-hydroxy-3,3-dimethylpentanoic acid.
What is the SMILES notation for 2-amino-4-hydroxy-3,3-dimethylpentanoic acid?
The canonical SMILES for 2-amino-4-hydroxy-3,3-dimethylpentanoic acid is CC(O)C(C)(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-4-hydroxy-3,3-dimethylpentanoic acid?
The InChIKey is OOUDXFAQGCYIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(9)7(2,3)5(8)6(10)11/h4-5,9H,8H2,1-3H3,(H,10,11).
What are the key properties of 2-amino-4-hydroxy-3,3-dimethylpentanoic acid?
2-amino-4-hydroxy-3,3-dimethylpentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-hydroxy-3,3-dimethylpentanoic acid is sourced from PubChem (CID 11997558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).