(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid

C17H19NO3 — CID 14019806

IUPAC(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESC[C@](N)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO3/c1-17(18,16(19)20)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10H,11-12,18H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyNOIIIALKOCPUCU-KRWDZBQOSA-N
MW285.34 g/mol
LogP2.61
Rot. Bonds6

About (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid

(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 14019806) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID14019806
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESC[C@](N)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H19NO3/c1-17(18,16(19)20)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10H,11-12,18H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyNOIIIALKOCPUCU-KRWDZBQOSA-N
XLogP2.61
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
2-hydroxy-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 67301593
(2R)-3-ethoxy-2-methyl-3-oxo-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 101480008
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
(2S)-2-amino-3-(3-borono-4-phenylmethoxyphenyl)-2-methylpropanoic acid
CID 171439716
N'-[2-methyl-1-(4-phenylmethoxyphenyl)propan-2-yl]propanediamide;hydrochloride
CID 70068669
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]butanoic acid
CID 21084276
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
3-ethoxy-3-oxo-2-phenoxy-2-[(4-phenylmethoxyphenyl)methyl]propanoic acid
CID 141009558
4-phenylmethoxybenzoic acid
CID 68896574
(2R)-2-amino-2,4,4-trimethyl-1-phenylpentan-3-one
CID 177194439

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid (CID 14019806) is (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid is C[C@](N)(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is NOIIIALKOCPUCU-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(18,16(19)20)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14/h2-10H,11-12,18H2,1H3,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid?
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 285.34 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 14019806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).