(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid

C13H17NO5 — CID 107834653

IUPAC(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
SMILESO=C(COCc1ccccc1)NCC[C@H](O)C(=O)O
InChIInChI=1S/C13H17NO5/c15-11(13(17)18)6-7-14-12(16)9-19-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyJOZDGSQKXAYICO-NSHDSACASA-N
MW267.28 g/mol
LogP0.16
Rot. Bonds8

About (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid

(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid (PubChem CID 107834653) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
PubChem CID107834653
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid
SMILESO=C(COCc1ccccc1)NCC[C@H](O)C(=O)O
InChIInChI=1S/C13H17NO5/c15-11(13(17)18)6-7-14-12(16)9-19-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)(H,17,18)/t11-/m0/s1
InChIKeyJOZDGSQKXAYICO-NSHDSACASA-N
XLogP0.16
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
N-butyl-2-phenylmethoxyacetamide
CID 126717674
4-[(2-phenylmethoxyacetyl)amino]butanoic acid
CID 43239307
methyl 2-hydroxy-3-[(2-phenylmethoxyacetyl)amino]propanoate
CID 103957951
N-(2,3-dihydroxypropyl)-2-phenylmethoxyacetamide
CID 66177316
N-(3,3-dimethylbutyl)-2-phenylmethoxyacetamide
CID 58756722
N-(3,3-difluoro-2-hydroxypropyl)-2-phenylmethoxyacetamide
CID 103770216
2-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
CID 107832254
2-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid (CID 107834653) is (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid is O=C(COCc1ccccc1)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
The InChIKey is JOZDGSQKXAYICO-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO5/c15-11(13(17)18)6-7-14-12(16)9-19-8-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid?
(2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[(2-phenylmethoxyacetyl)amino]butanoic acid is sourced from PubChem (CID 107834653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).