(2S,4R)-2-amino-4-methylnonanoic acid

C10H21NO2 — CID 165389386

IUPAC(2S,4R)-2-amino-4-methylnonanoic acid
SMILESCCCCC[C@@H](C)C[C@H](N)C(=O)O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-8(2)7-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyTUBPYUBXXQTAKH-BDAKNGLRSA-N
MW187.28 g/mol
LogP2.00
Rot. Bonds7

About (2S,4R)-2-amino-4-methylnonanoic acid

(2S,4R)-2-amino-4-methylnonanoic acid (PubChem CID 165389386) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (2S,4R)-2-amino-4-methylnonanoic acid.

Molecular Properties

Compound Name(2S,4R)-2-amino-4-methylnonanoic acid
PubChem CID165389386
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(2S,4R)-2-amino-4-methylnonanoic acid
SMILESCCCCC[C@@H](C)C[C@H](N)C(=O)O
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-8(2)7-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8-,9+/m1/s1
InChIKeyTUBPYUBXXQTAKH-BDAKNGLRSA-N
XLogP2.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopentacosanoic acid
CID 158815459
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
2,4-dimethyltetradecanoic acid
CID 5282697
2-aminohexadecanoic acid;azane
CID 175267671
(2R)-2-amino-4-methyl-6-oxohenicosanoic acid
CID 90102873
(2R)-2-(2-methyloctyl)hexadecanoic acid
CID 174649727
2-hydroxy-4-methylundecanoic acid
CID 87684052
sodium;(2S)-2-aminotridecanoic acid;hydride
CID 174527444
2-butyl-4-methylundecanoic acid
CID 170848284
(2R,4R,6R,8R,10R)-2,4,6,8,10-pentamethyloctacosanoic acid
CID 52921748
2-(4-methylundecan-2-yl)propanedioic acid
CID 118536076

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-amino-4-methylnonanoic acid?
The IUPAC name of (2S,4R)-2-amino-4-methylnonanoic acid (CID 165389386) is (2S,4R)-2-amino-4-methylnonanoic acid.
What is the SMILES notation for (2S,4R)-2-amino-4-methylnonanoic acid?
The canonical SMILES for (2S,4R)-2-amino-4-methylnonanoic acid is CCCCC[C@@H](C)C[C@H](N)C(=O)O.
What is the InChIKey of (2S,4R)-2-amino-4-methylnonanoic acid?
The InChIKey is TUBPYUBXXQTAKH-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-8(2)7-9(11)10(12)13/h8-9H,3-7,11H2,1-2H3,(H,12,13)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-2-amino-4-methylnonanoic acid?
(2S,4R)-2-amino-4-methylnonanoic acid has a molecular weight of 187.28 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-amino-4-methylnonanoic acid is sourced from PubChem (CID 165389386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).