2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid

C13H18N2O4 — CID 60707492

IUPAC2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
SMILESCOc1ccc(C)cc1CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-4-5-11(19-3)10(6-8)7-14-13(18)15-9(2)12(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyLKHKPNHLUFNBSI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.28
Rot. Bonds5

About 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid

2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid (PubChem CID 60707492) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
PubChem CID60707492
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid
SMILESCOc1ccc(C)cc1CNC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8-4-5-11(19-3)10(6-8)7-14-13(18)15-9(2)12(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyLKHKPNHLUFNBSI-UHFFFAOYSA-N
XLogP1.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methylcarbamoyl]butanoic acid
CID 115185960
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
(2R)-2-[(2-methoxy-5-methylphenyl)methylamino]-3-methylbutanoic acid
CID 93056746
3-[(2-methoxy-5-methylphenyl)methylamino]-3-oxopropanoic acid
CID 115163375
3-hydroxy-N-[(2-methoxy-5-methylphenyl)methyl]propanamide
CID 115138980
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
(2S,3S)-2-[(2-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoic acid
CID 40614014
2-chloro-N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 82128305
1-[(5-chloro-2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 47216838
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]butanoic acid
CID 43388197
2-(2-methoxy-5-methylphenyl)-N-methylacetamide
CID 39969431
(2S)-2-[[2-(5-fluoro-2-methoxyphenyl)acetyl]amino]propanoic acid
CID 96664419

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid (CID 60707492) is 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid is COc1ccc(C)cc1CNC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid?
The InChIKey is LKHKPNHLUFNBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-4-5-11(19-3)10(6-8)7-14-13(18)15-9(2)12(16)17/h4-6,9H,7H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid?
2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 60707492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).