(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid

C10H21NO3 — CID 137347972

IUPAC(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
SMILESCC(C)C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
InChIKeyPUJHJAZUGUEBOU-VGMNWLOBSA-N
MW203.28 g/mol
LogP0.83
Rot. Bonds6

About (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid

(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid (PubChem CID 137347972) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
PubChem CID137347972
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid
SMILESCC(C)C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)O
InChIInChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
InChIKeyPUJHJAZUGUEBOU-VGMNWLOBSA-N
XLogP0.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-6-cyclohexyl-4-hydroxy-2-isopropyl-hexanoic acid
CID 5287976
5-Amino-6-cyclohexyl-4-hydroxy-2-isobutyl-hexanoic acid
CID 6323244
5,9-Diamino-2-methyl-4-oxo-nonanoic acid
CID 14542163
(2s,4s,6s)-2-Amino-6-hydroxy-4-methyl-8-oxodecanoic acid
CID 123343145
5-Amino-2,7-dimethyl-4-oxo-octanoic acid
CID 14542144
(5S)-5-amino-2,7-dimethyl-4-oxooctanoic acid
CID 14542146
5-Amino-4-hydroxy-2-isopropyl-7-methyl-octanoic acid
CID 49867250
5-Amino-3,4-dihydroxy-2-isopropyl-7-methyloctanoic acid
CID 5748410
(2s,4s,5s)-5-Azido-4-hydroxy-2-isopropyl-7-methyloctanoic acid
CID 56635989
2-Amino-6-hydroxy-4-methyl-8-oxo-decanoic acid
CID 86007712
Tert-butyl 2,5-diamino-3,3-difluoro-4-hydroxy-7-methyloctanoate
CID 19898552
2-Methylpropyl 2,5-diamino-3,3-difluoro-4-hydroxy-7-methyloctanoate
CID 21621215

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid?
The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid (CID 137347972) is (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid.
What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid?
The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid is CC(C)C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)O.
What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid?
The InChIKey is PUJHJAZUGUEBOU-VGMNWLOBSA-N. The full InChI is InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid?
(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid has a molecular weight of 203.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid is sourced from PubChem (CID 137347972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).