2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid

C10H21NO4 — CID 175971387

IUPAC2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid
SMILESCC(O)CC(CC(C)O)C(C)(N)C(=O)O
InChIInChI=1S/C10H21NO4/c1-6(12)4-8(5-7(2)13)10(3,11)9(14)15/h6-8,12-13H,4-5,11H2,1-3H3,(H,14,15)
InChIKeySOYPTOBKBAIOBN-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.05
Rot. Bonds6

About 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid

2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid (PubChem CID 175971387) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid.

Molecular Properties

Compound Name2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid
PubChem CID175971387
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid
SMILESCC(O)CC(CC(C)O)C(C)(N)C(=O)O
InChIInChI=1S/C10H21NO4/c1-6(12)4-8(5-7(2)13)10(3,11)9(14)15/h6-8,12-13H,4-5,11H2,1-3H3,(H,14,15)
InChIKeySOYPTOBKBAIOBN-UHFFFAOYSA-N
XLogP-0.05
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-ethyl-2-methylpentanoic acid;hydrochloride
CID 165389637
(2S)-2-amino-3-hydroxy-2,4-dimethylpentanoic acid
CID 45086732
2-amino-3-ethyl-2,4-dimethyl-4-sulfanylpentanoic acid
CID 123718615
(2S)-2-amino-3-hydroxy-2-methylhexanoic acid
CID 45086731
4-(2-aminopropan-2-yl)icosan-2-ol
CID 87495669
(2S)-2-amino-4-deuterio-2,3-dimethylbutanoic acid
CID 141141472
2,3-diamino-2-methylpentanoic acid
CID 174904940
2-amino-4-hydroxypentanoic acid
CID 14021586
(2R,3S)-2-amino-3-hydroxy-2-methyloctanoic acid
CID 44817672
2-amino-2-sulfanylpropanoic acid
CID 22715625
decane-2,4,7,9-tetrol
CID 87436016
(2S)-2-amino-3-tert-butyl-2-methylbutanedioic acid
CID 54112864

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid?
The IUPAC name of 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid (CID 175971387) is 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid.
What is the SMILES notation for 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid?
The canonical SMILES for 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid is CC(O)CC(CC(C)O)C(C)(N)C(=O)O.
What is the InChIKey of 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid?
The InChIKey is SOYPTOBKBAIOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-6(12)4-8(5-7(2)13)10(3,11)9(14)15/h6-8,12-13H,4-5,11H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid?
2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid has a molecular weight of 219.28 g/mol, XLogP of -0.05, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-3-(2-hydroxypropyl)-2-methylhexanoic acid is sourced from PubChem (CID 175971387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).