(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid

C14H21NO3 — CID 142647385

IUPAC(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
SMILESCCCC[C@@](C)(NOCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-3-4-10-14(2,13(16)17)15-18-11-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyGHYHDSGPHOMTFS-CQSZACIVSA-N
MW251.33 g/mol
LogP2.74
Rot. Bonds8

About (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid

(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid (PubChem CID 142647385) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
PubChem CID142647385
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid
SMILESCCCC[C@@](C)(NOCc1ccccc1)C(=O)O
InChIInChI=1S/C14H21NO3/c1-3-4-10-14(2,13(16)17)15-18-11-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3,(H,16,17)/t14-/m1/s1
InChIKeyGHYHDSGPHOMTFS-CQSZACIVSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(benzylamino)-2-methylheptanoic acid
CID 80557654
2-methylhexan-2-yloxymethylbenzene
CID 134222440
(2S)-2-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 51683257
N-phenylmethoxyhexanamide
CID 60717350
3-O-benzyl 1-O-methyl 2,2-dibutylpropanedioate
CID 174832525
benzyl 2-butylhexanoate
CID 175287311
2-ethynyl-2-(2-phenylethyl)hexanoic acid
CID 118039929
2,2-dimethyl-N-phenylmethoxyheptan-3-amine
CID 15416347
2-methyl-2-phenylmethoxycarbonylundecanoic acid
CID 150503047
3-O-benzyl 1-O-ethyl 2,2-dibutylpropanedioate
CID 174832526
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 14420168
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid?
The IUPAC name of (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid (CID 142647385) is (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid.
What is the SMILES notation for (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid?
The canonical SMILES for (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid is CCCC[C@@](C)(NOCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid?
The InChIKey is GHYHDSGPHOMTFS-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO3/c1-3-4-10-14(2,13(16)17)15-18-11-12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid?
(2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-(phenylmethoxyamino)hexanoic acid is sourced from PubChem (CID 142647385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).