(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid

C12H15NO4 — CID 42254545

IUPAC(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)7-9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyIBWNQDKSYFUZAC-QMMMGPOBSA-N
MW237.25 g/mol
LogP0.83
Rot. Bonds5

About (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid

(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid (PubChem CID 42254545) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
PubChem CID42254545
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid
SMILESCOc1ccc(CC(=O)N[C@@H](C)C(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)7-9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1
InChIKeyIBWNQDKSYFUZAC-QMMMGPOBSA-N
XLogP0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-[(2S)-1-hydrazinyl-1-oxopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 39819173
(2S)-2-[[2-[4-(trifluoromethoxy)phenyl]acetyl]amino]propanoic acid
CID 119238043
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
2-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]propanoic acid
CID 43241779
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
(2S)-2-[[2-(4-acetylphenyl)acetyl]amino]propanoic acid
CID 119943006
2-[[2-(3-ethyl-4-methoxyphenyl)acetyl]amino]propanoic acid
CID 112513636
ethane;2-[(4-methoxyphenyl)methylamino]propanoic acid
CID 91562631
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-(1-bromopropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 114310520
2-(4-methoxyphenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 2964250

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid (CID 42254545) is (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid is COc1ccc(CC(=O)N[C@@H](C)C(=O)O)cc1.
What is the InChIKey of (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid?
The InChIKey is IBWNQDKSYFUZAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-8(12(15)16)13-11(14)7-9-3-5-10(17-2)6-4-9/h3-6,8H,7H2,1-2H3,(H,13,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 42254545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).