(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid

C12H15NO5 — CID 107832779

IUPAC(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCOc1ccccc1CC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H15NO5/c1-18-10-5-3-2-4-8(10)6-11(15)13-7-9(14)12(16)17/h2-5,9,14H,6-7H2,1H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyGTXKJBSGUOEMJI-VIFPVBQESA-N
MW253.25 g/mol
LogP-0.20
Rot. Bonds6

About (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid

(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 107832779) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
PubChem CID107832779
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCOc1ccccc1CC(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C12H15NO5/c1-18-10-5-3-2-4-8(10)6-11(15)13-7-9(14)12(16)17/h2-5,9,14H,6-7H2,1H3,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyGTXKJBSGUOEMJI-VIFPVBQESA-N
XLogP-0.20
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-2-(2-methoxyphenyl)acetamide
CID 103770198
2-(2-methoxyphenyl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120829739
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-2-(2-methoxyphenyl)acetamide
CID 95618412
N-(4-bromo-2-ethylbutyl)-2-(2-methoxyphenyl)acetamide
CID 113276407
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-methoxyphenyl)acetamide
CID 55652673
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid
CID 119232164
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46446864
N-(2-amino-2-methylpropyl)-2-(2-methoxyphenyl)acetamide
CID 81482461

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid (CID 107832779) is (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid is COc1ccccc1CC(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is GTXKJBSGUOEMJI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15NO5/c1-18-10-5-3-2-4-8(10)6-11(15)13-7-9(14)12(16)17/h2-5,9,14H,6-7H2,1H3,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid?
(2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 253.25 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[[2-(2-methoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 107832779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).