(2R)-3-methyl-2-(nonanoylamino)butanoic acid

C14H27NO3 — CID 79010632

IUPAC(2R)-3-methyl-2-(nonanoylamino)butanoic acid
SMILESCCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-9-10-12(16)15-13(11(2)3)14(17)18/h11,13H,4-10H2,1-3H3,(H,15,16)(H,17,18)/t13-/m1/s1
InChIKeyYKBRSNDIZZALLC-CYBMUJFWSA-N
MW257.37 g/mol
LogP2.96
Rot. Bonds10

About (2R)-3-methyl-2-(nonanoylamino)butanoic acid

(2R)-3-methyl-2-(nonanoylamino)butanoic acid (PubChem CID 79010632) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2R)-3-methyl-2-(nonanoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(nonanoylamino)butanoic acid
PubChem CID79010632
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2R)-3-methyl-2-(nonanoylamino)butanoic acid
SMILESCCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-9-10-12(16)15-13(11(2)3)14(17)18/h11,13H,4-10H2,1-3H3,(H,15,16)(H,17,18)/t13-/m1/s1
InChIKeyYKBRSNDIZZALLC-CYBMUJFWSA-N
XLogP2.96
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.96
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

2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
3-hydroxy-2-(octadecanoylamino)butanoic acid
CID 5033246
3-hydroxy-2-(icosanoylamino)butanoic acid
CID 18762052
(2S)-3-hydroxy-2-(tetradecanoylamino)butanoic acid
CID 90103155
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787
(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
(2S)-3-methyl-2-(octadecanoylamino)pentanoic acid
CID 90103267
(2S)-2-(docosanoylamino)-3-methylpentanoic acid
CID 139298732
2-(henicosanoylamino)-3-methylpentanoic acid
CID 11690720

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(nonanoylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(nonanoylamino)butanoic acid (CID 79010632) is (2R)-3-methyl-2-(nonanoylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(nonanoylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(nonanoylamino)butanoic acid is CCCCCCCCC(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-3-methyl-2-(nonanoylamino)butanoic acid?
The InChIKey is YKBRSNDIZZALLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-6-7-8-9-10-12(16)15-13(11(2)3)14(17)18/h11,13H,4-10H2,1-3H3,(H,15,16)(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(nonanoylamino)butanoic acid?
(2R)-3-methyl-2-(nonanoylamino)butanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.96, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(nonanoylamino)butanoic acid is sourced from PubChem (CID 79010632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).