(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid

C14H27NO3 — CID 140785640

IUPAC(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid
SMILESCCCCCCCC(=O)[C@@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-9-12(16)14(15,13(17)18)10-11(2)3/h11H,4-10,15H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyZVAYRALHDYUMKT-AWEZNQCLSA-N
MW257.37 g/mol
LogP2.74
Rot. Bonds10

About (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid

(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid (PubChem CID 140785640) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid
PubChem CID140785640
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid
SMILESCCCCCCCC(=O)[C@@](N)(CC(C)C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-4-5-6-7-8-9-12(16)14(15,13(17)18)10-11(2)3/h11H,4-10,15H2,1-3H3,(H,17,18)/t14-/m0/s1
InChIKeyZVAYRALHDYUMKT-AWEZNQCLSA-N
XLogP2.74
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-octanoylbutanedioic acid
CID 154684693
2-amino-2-(3-aminopropyl)-3-oxotetradecanoic acid
CID 174507484
(2R)-2-amino-2-dodecanoylpentanedioic acid
CID 140563960
2-amino-2-(3-amino-3-oxopropyl)-3-oxoicosanoic acid
CID 19421297
2-amino-2-(4-aminobutyl)-3-oxooctadecanoic acid
CID 22044528
4-amino-4-hexadecanoyl-5-oxoicosanoic acid
CID 175586203
2-amino-2-methyl-3-oxoicos-11-enoic acid
CID 173291281
(Z)-2-amino-2-[(Z)-octadec-9-enoyl]-4-oxohenicos-12-enoic acid
CID 162469658
11-amino-11-decanoylhenicosane-10,12-dione;hydrofluoride
CID 173393402
2-amino-2-methylpentadecan-3-one
CID 116560229
2-amino-2-methyloctadecan-3-one
CID 175961283
2-amino-2-[3-(ethylamino)-3-oxopropyl]-3-oxooctanoic acid
CID 151236930

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid?
The IUPAC name of (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid (CID 140785640) is (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid?
The canonical SMILES for (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid is CCCCCCCC(=O)[C@@](N)(CC(C)C)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid?
The InChIKey is ZVAYRALHDYUMKT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27NO3/c1-4-5-6-7-8-9-12(16)14(15,13(17)18)10-11(2)3/h11H,4-10,15H2,1-3H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid?
(2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-methylpropyl)-3-oxodecanoic acid is sourced from PubChem (CID 140785640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).