2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid

C12H14N2O4 — CID 113304992

IUPAC2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)NC2CC2)c1
InChIInChI=1S/C12H14N2O4/c1-18-8-4-5-9(11(15)16)10(6-8)14-12(17)13-7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyQLIVHRBGGIRGQE-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.68
Rot. Bonds4

About 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid

2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid (PubChem CID 113304992) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
PubChem CID113304992
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)NC2CC2)c1
InChIInChI=1S/C12H14N2O4/c1-18-8-4-5-9(11(15)16)10(6-8)14-12(17)13-7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H2,13,14,17)
InChIKeyQLIVHRBGGIRGQE-UHFFFAOYSA-N
XLogP1.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclobutylcarbamoylamino)-5-methoxybenzoic acid
CID 115412235
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
2-[3-(cyclopropylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411585
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
2-[[cyclopropyl(propyl)carbamoyl]amino]-4-methoxybenzoic acid
CID 115412060
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533
4-methoxy-2-(methylamino)benzoic acid
CID 70479848
4-methoxy-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 113304995
2-[(3-aminopyrrolidine-1-carbonyl)amino]-4-methoxybenzoic acid
CID 115412224
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
CID 63116079
2-(cyclopropylsulfonylamino)-4-methoxybenzoic acid
CID 78920269

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid?
The IUPAC name of 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid (CID 113304992) is 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid.
What is the SMILES notation for 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid?
The canonical SMILES for 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(NC(=O)NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid?
The InChIKey is QLIVHRBGGIRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-18-8-4-5-9(11(15)16)10(6-8)14-12(17)13-7-2-3-7/h4-7H,2-3H2,1H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid?
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid has a molecular weight of 250.25 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid is sourced from PubChem (CID 113304992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).