tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate

C20H25NO4 — CID 174448640

IUPACtert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate
SMILESCC(C)(C)OC(=O)[C@](N)(CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO4/c1-19(2,3)25-18(23)20(21,14-22)16-9-11-17(12-10-16)24-13-15-7-5-4-6-8-15/h4-12,22H,13-14,21H2,1-3H3/t20-/m0/s1
InChIKeyLOQCVQHOOCTHIL-FQEVSTJZSA-N
MW343.42 g/mol
LogP2.75
Rot. Bonds6

About tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate

tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate (PubChem CID 174448640) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate
PubChem CID174448640
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Nametert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate
SMILESCC(C)(C)OC(=O)[C@](N)(CO)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO4/c1-19(2,3)25-18(23)20(21,14-22)16-9-11-17(12-10-16)24-13-15-7-5-4-6-8-15/h4-12,22H,13-14,21H2,1-3H3/t20-/m0/s1
InChIKeyLOQCVQHOOCTHIL-FQEVSTJZSA-N
XLogP2.75
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-O-benzyl 1-O-tert-butyl 2-amino-2-(hydroxymethyl)propanedioate
CID 151236321
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate
CID 71307394
(2S)-2-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 131871320
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetamide
CID 139613624
tert-butyl N-[2-(4-phenylmethoxyanilino)ethyl]carbamate
CID 54527689
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
3-amino-3-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 66921479
N-methoxy-N,2-dimethyl-2-(4-phenylmethoxyphenyl)propanamide
CID 134113096
(2R)-2-amino-2-(3-phenylmethoxyphenyl)propanoic acid
CID 7345316
(2S)-2-acetamido-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoic acid
CID 57129486

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate (CID 174448640) is tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate is CC(C)(C)OC(=O)[C@](N)(CO)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is LOQCVQHOOCTHIL-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H25NO4/c1-19(2,3)25-18(23)20(21,14-22)16-9-11-17(12-10-16)24-13-15-7-5-4-6-8-15/h4-12,22H,13-14,21H2,1-3H3/t20-/m0/s1.
What are the key properties of tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate?
tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 343.42 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 174448640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).