3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid

C15H22N2O4 — CID 61184429

IUPAC3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCOc1ccc(C)cc1NC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)17(8-7-14(18)19)15(20)16-12-9-11(3)5-6-13(12)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyHPLGWBJQKZUCEL-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.72
Rot. Bonds6

About 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid

3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid (PubChem CID 61184429) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
PubChem CID61184429
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCOc1ccc(C)cc1NC(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C15H22N2O4/c1-10(2)17(8-7-14(18)19)15(20)16-12-9-11(3)5-6-13(12)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyHPLGWBJQKZUCEL-UHFFFAOYSA-N
XLogP2.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-methoxy-5-methylphenyl)acetyl]-propan-2-ylamino]propanoic acid
CID 60830398
2-[(2-methoxy-5-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetic acid
CID 63065425
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553
4-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746072
1,1-dibutyl-3-(2-methoxy-5-methylphenyl)urea
CID 5047636
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
3-[(5-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61204869
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
3-[(2-ethoxyphenyl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61181189
3-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-methoxy-N-methylbenzamide
CID 136573479
2-amino-N-(2-methoxy-5-methylphenyl)-4-methylpentanamide
CID 24690909
1-(2-cyanoethyl)-3-(2-methoxy-5-methylphenyl)-1-methylurea
CID 3859282

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid (CID 61184429) is 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid is COc1ccc(C)cc1NC(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
The InChIKey is HPLGWBJQKZUCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10(2)17(8-7-14(18)19)15(20)16-12-9-11(3)5-6-13(12)21-4/h5-6,9-10H,7-8H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid?
3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)carbamoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61184429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).