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

C12H16N2O5 — CID 66165933

IUPAC2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
SMILESCOc1cccc(N(C)C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-14(8-4-3-5-9(6-8)19-2)12(18)13-7-10(15)11(16)17/h3-6,10,15H,7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyTZJXIIDLWLEKEJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.29
Rot. Bonds5

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

2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid (PubChem CID 66165933) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
PubChem CID66165933
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
SMILESCOc1cccc(N(C)C(=O)NCC(O)C(=O)O)c1
InChIInChI=1S/C12H16N2O5/c1-14(8-4-3-5-9(6-8)19-2)12(18)13-7-10(15)11(16)17/h3-6,10,15H,7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyTZJXIIDLWLEKEJ-UHFFFAOYSA-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

3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]-2-methylpropanoic acid
CID 55105416
(2R)-3-hydroxy-2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 80757234
2-[[2-[[(3-methoxyphenyl)-methylcarbamoyl]amino]acetyl]amino]acetic acid
CID 62002684
3-(3-methoxy-N-methylanilino)-3-oxopropanoic acid
CID 22132899
3-[[(3-fluorophenyl)-methylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106110058
2-hydroxy-N-(3-methoxyphenyl)-N-methylacetamide
CID 70581132
4-[(3-methoxyphenyl)-methylcarbamoyl]benzoic acid
CID 62003468
3-[2-(3-methoxyphenoxy)propylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122004022
4-methoxy-N-(3-methoxyphenyl)-N-methylbenzamide
CID 23508483
4-(4-methoxyphenoxy)-N-(3-methoxyphenyl)-N-methylbenzamide
CID 127038740
2-hydroxy-3-(3-methoxyphenoxy)propanoic acid
CID 105465737
propan-2-yl N-(3-methoxyphenyl)-N-methylcarbamate
CID 116655313

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid (CID 66165933) is 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid is COc1cccc(N(C)C(=O)NCC(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
The InChIKey is TZJXIIDLWLEKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-14(8-4-3-5-9(6-8)19-2)12(18)13-7-10(15)11(16)17/h3-6,10,15H,7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid?
2-hydroxy-3-[[(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 2-hydroxy-3-[[(3-methoxyphenyl)-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 66165933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).