(2S)-2-benzamido-3-methoxypropanoic acid

C11H13NO4 — CID 54400188

IUPAC(2S)-2-benzamido-3-methoxypropanoic acid
SMILESCOC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-16-7-9(11(14)15)12-10(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyVMWDGISMIJACEK-VIFPVBQESA-N
MW223.23 g/mol
LogP0.52
Rot. Bonds5

About (2S)-2-benzamido-3-methoxypropanoic acid

(2S)-2-benzamido-3-methoxypropanoic acid (PubChem CID 54400188) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2S)-2-benzamido-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-3-methoxypropanoic acid
PubChem CID54400188
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name(2S)-2-benzamido-3-methoxypropanoic acid
SMILESCOC[C@H](NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO4/c1-16-7-9(11(14)15)12-10(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1
InChIKeyVMWDGISMIJACEK-VIFPVBQESA-N
XLogP0.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromobenzoyl)amino]-3-methoxypropanoic acid
CID 81076799
2-benzamido-4-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]butanoic acid
CID 154613203
2-[[4-(2-aminoethyl)benzoyl]amino]-3-methoxypropanoic acid
CID 81077743
2-benzamido-4-methoxy-4-oxobutanoic acid;ethane
CID 142855999
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
3-methoxy-2-(phenacylamino)propanoic acid
CID 22284590
[(2R)-2-benzamido-3-methoxy-3-oxopropyl] benzoate
CID 86334795
(2S)-2-benzamido-3-bromopropanoic acid
CID 134897553
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
(3R)-3-benzamido-4-methoxy-4-oxobutanoic acid
CID 124500287

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-3-methoxypropanoic acid?
The IUPAC name of (2S)-2-benzamido-3-methoxypropanoic acid (CID 54400188) is (2S)-2-benzamido-3-methoxypropanoic acid.
What is the SMILES notation for (2S)-2-benzamido-3-methoxypropanoic acid?
The canonical SMILES for (2S)-2-benzamido-3-methoxypropanoic acid is COC[C@H](NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-benzamido-3-methoxypropanoic acid?
The InChIKey is VMWDGISMIJACEK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-7-9(11(14)15)12-10(13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,13)(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-benzamido-3-methoxypropanoic acid?
(2S)-2-benzamido-3-methoxypropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-3-methoxypropanoic acid is sourced from PubChem (CID 54400188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).