2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid

C12H15NO4 — CID 70091345

IUPAC2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
SMILESCOC(=O)[C@@H](Cc1ccccc1)NCC(=O)O
InChIInChI=1S/C12H15NO4/c1-17-12(16)10(13-8-11(14)15)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyBMIRADKJHRLXIP-SNVBAGLBSA-N
MW237.25 g/mol
LogP0.44
Rot. Bonds6

About 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid

2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid (PubChem CID 70091345) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
PubChem CID70091345
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid
SMILESCOC(=O)[C@@H](Cc1ccccc1)NCC(=O)O
InChIInChI=1S/C12H15NO4/c1-17-12(16)10(13-8-11(14)15)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyBMIRADKJHRLXIP-SNVBAGLBSA-N
XLogP0.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid with MolForge

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Related Compounds

methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl (2S)-2-[[(E)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-enyl]amino]-3-phenylpropanoate
CID 15499312
methyl (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 170966374
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl 2-formamido-3-phenylpropanoate
CID 595529
methyl (2S)-3-phenyl-2-(phosphorosoamino)propanoate
CID 174369868
methyl (2R)-2-[[2-[[6-[[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetyl]amino]-9,10-dioxoanthracen-2-yl]amino]-2-oxoethyl]amino]-3-phenylpropanoate
CID 71112336
(3R)-3-amino-4-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 6992061
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227
methyl 3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 60680037
methyl (2S)-3-phenyl-2-(thiophen-2-ylmethylamino)propanoate
CID 59107325

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid (CID 70091345) is 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid is COC(=O)[C@@H](Cc1ccccc1)NCC(=O)O.
What is the InChIKey of 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid?
The InChIKey is BMIRADKJHRLXIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c1-17-12(16)10(13-8-11(14)15)7-9-5-3-2-4-6-9/h2-6,10,13H,7-8H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid?
2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]acetic acid is sourced from PubChem (CID 70091345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).