2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid

C14H18N2O5 — CID 61181181

IUPAC2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
SMILESCOc1ccc(NC(=O)N(CC(=O)O)C2CC2)c(OC)c1
InChIInChI=1S/C14H18N2O5/c1-20-10-5-6-11(12(7-10)21-2)15-14(19)16(8-13(17)18)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFYVDHIMAHVDABJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.78
Rot. Bonds6

About 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid

2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid (PubChem CID 61181181) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
PubChem CID61181181
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
SMILESCOc1ccc(NC(=O)N(CC(=O)O)C2CC2)c(OC)c1
InChIInChI=1S/C14H18N2O5/c1-20-10-5-6-11(12(7-10)21-2)15-14(19)16(8-13(17)18)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyFYVDHIMAHVDABJ-UHFFFAOYSA-N
XLogP1.78
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-(2,4-dimethoxyphenyl)acetyl]amino]acetic acid
CID 60827055
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
3-(2,4-dimethoxyphenyl)-1-(oxan-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 90554843
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(2-methoxyethyl)urea
CID 3236787
2-[cyclohexyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 1057219
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropyl-[(4-fluoro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 54978295
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
2-[cyclopropyl-[(2,4-dibromophenyl)carbamoyl]amino]acetic acid
CID 54983981
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
1-(1-acetylpiperidin-4-yl)-3-(2,4-dimethoxyphenyl)-1-(3-propan-2-yloxypropyl)urea
CID 20968060
3-(2,4-dimethoxyphenyl)-1-(1-ethylpiperidin-4-yl)-1-(furan-2-ylmethyl)urea
CID 20908037

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid (CID 61181181) is 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid is COc1ccc(NC(=O)N(CC(=O)O)C2CC2)c(OC)c1.
What is the InChIKey of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid?
The InChIKey is FYVDHIMAHVDABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-10-5-6-11(12(7-10)21-2)15-14(19)16(8-13(17)18)9-3-4-9/h5-7,9H,3-4,8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid?
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid has a molecular weight of 294.31 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61181181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).