(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid

C12H16N2O5 — CID 80757234

IUPAC(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
SMILESCOc1cccc(N(C)C(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-14(8-4-3-5-9(6-8)19-2)12(18)13-10(7-15)11(16)17/h3-6,10,15H,7H2,1-2H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyDFKMWQGOLSZVSL-SNVBAGLBSA-N
MW268.27 g/mol
LogP0.29
Rot. Bonds5

About (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid

(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid (PubChem CID 80757234) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
PubChem CID80757234
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
SMILESCOc1cccc(N(C)C(=O)N[C@H](CO)C(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-14(8-4-3-5-9(6-8)19-2)12(18)13-10(7-15)11(16)17/h3-6,10,15H,7H2,1-2H3,(H,13,18)(H,16,17)/t10-/m1/s1
InChIKeyDFKMWQGOLSZVSL-SNVBAGLBSA-N
XLogP0.29
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-hydroxy-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62001547
3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 66165933
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 62002684
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
2-(3-methoxy-N-methylanilino)butanedioic acid
CID 115144348
(2R)-4-amino-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 107827374
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]hexanoic acid
CID 107145948
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313
(2S)-2-[[(4-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 62002877

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid (CID 80757234) is (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid is COc1cccc(N(C)C(=O)N[C@H](CO)C(=O)O)c1.
What is the InChIKey of (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
The InChIKey is DFKMWQGOLSZVSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-14(8-4-3-5-9(6-8)19-2)12(18)13-10(7-15)11(16)17/h3-6,10,15H,7H2,1-2H3,(H,13,18)(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 80757234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).