2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid

C16H20N2O3 — CID 64520014

IUPAC2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)N(CC2CC2)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C16H20N2O3/c1-10-2-7-14(13(8-10)15(19)20)17-16(21)18(12-5-6-12)9-11-3-4-11/h2,7-8,11-12H,3-6,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyPOANQDTTYJSRHH-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.10
Rot. Bonds5

About 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid

2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid (PubChem CID 64520014) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
PubChem CID64520014
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
SMILESCc1ccc(NC(=O)N(CC2CC2)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C16H20N2O3/c1-10-2-7-14(13(8-10)15(19)20)17-16(21)18(12-5-6-12)9-11-3-4-11/h2,7-8,11-12H,3-6,9H2,1H3,(H,17,21)(H,19,20)
InChIKeyPOANQDTTYJSRHH-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid
CID 64520010
2-[[cyclohexyl(methyl)carbamoyl]amino]-5-methylbenzoic acid
CID 45267881
2-[cyclopropylmethyl-[(2,4-dimethylphenyl)carbamoyl]amino]acetic acid
CID 43655679
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
2-(dipropylcarbamoylamino)-5-methylbenzoic acid
CID 61183221
2-[[cyclopentyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 61405932
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-iodobenzoic acid
CID 63955052
2-[cyclopropyl-[(2,5-dimethylphenyl)carbamoyl]amino]acetic acid
CID 54978482
5-methyl-2-[(4-methylcyclohexyl)methylamino]benzoic acid
CID 55225101
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63657376
5-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223094
5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073503

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid (CID 64520014) is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid is Cc1ccc(NC(=O)N(CC2CC2)C2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid?
The InChIKey is POANQDTTYJSRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-2-7-14(13(8-10)15(19)20)17-16(21)18(12-5-6-12)9-11-3-4-11/h2,7-8,11-12H,3-6,9H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid?
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid has a molecular weight of 288.35 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 64520014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).