(3S,5R)-5-amino-3,8-dimethylnonanoic acid

C11H23NO2 — CID 125425710

IUPAC(3S,5R)-5-amino-3,8-dimethylnonanoic acid
SMILESCC(C)CC[C@@H](N)C[C@H](C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)4-5-10(12)6-9(3)7-11(13)14/h8-10H,4-7,12H2,1-3H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyAEUGXLQMCCKHKC-VHSXEESVSA-N
MW201.31 g/mol
LogP2.25
Rot. Bonds7

About (3S,5R)-5-amino-3,8-dimethylnonanoic acid

(3S,5R)-5-amino-3,8-dimethylnonanoic acid (PubChem CID 125425710) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is (3S,5R)-5-amino-3,8-dimethylnonanoic acid.

Molecular Properties

Compound Name(3S,5R)-5-amino-3,8-dimethylnonanoic acid
PubChem CID125425710
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name(3S,5R)-5-amino-3,8-dimethylnonanoic acid
SMILESCC(C)CC[C@@H](N)C[C@H](C)CC(=O)O
InChIInChI=1S/C11H23NO2/c1-8(2)4-5-10(12)6-9(3)7-11(13)14/h8-10H,4-7,12H2,1-3H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyAEUGXLQMCCKHKC-VHSXEESVSA-N
XLogP2.25
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
(3S,5R)-3,5-dimethyloctanoic acid
CID 175942531
3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
3-methyl-5-(5-methylhexan-2-ylamino)-5-oxopentanoic acid
CID 62966251
(3R,5R,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427142
(3R,5S,6S)-5-amino-3,6-dimethyloctanoic acid
CID 125427143
(3S)-3-aminobutanoic acid;hydrochloride
CID 2761505
(3S,5R)-3-amino-8,8,9,9,9-pentadeuterio-5-methylnonanoic acid;hydrochloride
CID 57408903
(4R)-4-amino-6-methylheptanoic acid;hydrochloride
CID 46218148
2,8-dimethylnonan-5-amine
CID 15030000
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
(5S)-5-amino-7-methyloctanoic acid
CID 178163139

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-amino-3,8-dimethylnonanoic acid?
The IUPAC name of (3S,5R)-5-amino-3,8-dimethylnonanoic acid (CID 125425710) is (3S,5R)-5-amino-3,8-dimethylnonanoic acid.
What is the SMILES notation for (3S,5R)-5-amino-3,8-dimethylnonanoic acid?
The canonical SMILES for (3S,5R)-5-amino-3,8-dimethylnonanoic acid is CC(C)CC[C@@H](N)C[C@H](C)CC(=O)O.
What is the InChIKey of (3S,5R)-5-amino-3,8-dimethylnonanoic acid?
The InChIKey is AEUGXLQMCCKHKC-VHSXEESVSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)4-5-10(12)6-9(3)7-11(13)14/h8-10H,4-7,12H2,1-3H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of (3S,5R)-5-amino-3,8-dimethylnonanoic acid?
(3S,5R)-5-amino-3,8-dimethylnonanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-amino-3,8-dimethylnonanoic acid is sourced from PubChem (CID 125425710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).