2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid

C13H17NO5 — CID 66166214

IUPAC2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
SMILESCC(OCc1ccccc1)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C13H17NO5/c1-9(12(16)14-7-11(15)13(17)18)19-8-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyUQADEBWOIHUKRM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.15
Rot. Bonds7

About 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid

2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid (PubChem CID 66166214) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
PubChem CID66166214
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
SMILESCC(OCc1ccccc1)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C13H17NO5/c1-9(12(16)14-7-11(15)13(17)18)19-8-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,14,16)(H,17,18)
InChIKeyUQADEBWOIHUKRM-UHFFFAOYSA-N
XLogP0.15
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 119252750
3-[(2-phenylmethoxypropanoylamino)methyl]pentanoic acid
CID 81064919
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
N-[2-(methanesulfonamido)ethyl]-2-phenylmethoxypropanamide
CID 47028889
(2S)-N-[2-(3-chlorophenyl)ethyl]-2-phenylmethoxypropanamide
CID 51941387
N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-phenylmethoxypropanamide
CID 86823532
(2S)-3-[(2-amino-4-phenylbutanoyl)amino]-2-hydroxypropanoic acid
CID 107835779
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-phenylmethoxypropanamide
CID 39943771
(2S)-2-phenylmethoxy-N-(2-thiophen-3-ylethyl)propanamide
CID 94023398

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid (CID 66166214) is 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid is CC(OCc1ccccc1)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid?
The InChIKey is UQADEBWOIHUKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-9(12(16)14-7-11(15)13(17)18)19-8-10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid?
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid is sourced from PubChem (CID 66166214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).