2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid

C14H18N2O3 — CID 61197742

IUPAC2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)NC(C)C1CC1
InChIInChI=1S/C14H18N2O3/c1-8-4-3-5-11(13(17)18)12(8)16-14(19)15-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQPASEAAIKBTPHI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.61
Rot. Bonds4

About 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid

2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid (PubChem CID 61197742) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
PubChem CID61197742
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid
SMILESCc1cccc(C(=O)O)c1NC(=O)NC(C)C1CC1
InChIInChI=1S/C14H18N2O3/c1-8-4-3-5-11(13(17)18)12(8)16-14(19)15-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQPASEAAIKBTPHI-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylcarbamoylamino)-3-methylbenzoic acid
CID 61187186
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
2-(4-methoxybutan-2-ylcarbamoylamino)-3-methylbenzoic acid
CID 64605302
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
3-methyl-2-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61184202
2-(1-cyclopropylethylcarbamoyl)benzoic acid
CID 43533392
3-methyl-2-(pent-1-yn-3-ylcarbamoylamino)benzoic acid
CID 106232069
2-cyclopropyl-2-[(2-methyl-6-propan-2-ylphenyl)carbamoylamino]acetic acid
CID 62711201
2-[(2-cyclopropylacetyl)amino]-3-methylbenzoic acid
CID 43358339
3-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)benzoic acid
CID 80714704
1-(1-cyclopropylethyl)-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 47133281
1-[(1S)-1-cyclopropylethyl]-3-(4-methylphenyl)urea
CID 51641371

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid?
The IUPAC name of 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid (CID 61197742) is 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid.
What is the SMILES notation for 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid?
The canonical SMILES for 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid is Cc1cccc(C(=O)O)c1NC(=O)NC(C)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid?
The InChIKey is QPASEAAIKBTPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-4-3-5-11(13(17)18)12(8)16-14(19)15-9(2)10-6-7-10/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid?
2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylcarbamoylamino)-3-methylbenzoic acid is sourced from PubChem (CID 61197742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).