2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid

C15H18N2O3 — CID 64520010

IUPAC2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H18N2O3/c18-14(19)12-3-1-2-4-13(12)16-15(20)17(11-7-8-11)9-10-5-6-10/h1-4,10-11H,5-9H2,(H,16,20)(H,18,19)
InChIKeyRMPRNIRCMSVGKI-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.79
Rot. Bonds5

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

2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid (PubChem CID 64520010) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid
PubChem CID64520010
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N(CC1CC1)C1CC1
InChIInChI=1S/C15H18N2O3/c18-14(19)12-3-1-2-4-13(12)16-15(20)17(11-7-8-11)9-10-5-6-10/h1-4,10-11H,5-9H2,(H,16,20)(H,18,19)
InChIKeyRMPRNIRCMSVGKI-UHFFFAOYSA-N
XLogP2.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]-5-methylbenzoic acid
CID 64520014
2-[[cyclobutylmethyl(ethyl)carbamoyl]amino]benzoic acid
CID 107400204
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylbenzoic acid
CID 62949238
2-[(2-cycloheptylacetyl)amino]benzoic acid
CID 114457097
3-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]-2-methylbenzoic acid
CID 102865703
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431
2-[bis(prop-2-enyl)carbamoylamino]benzoic acid
CID 61193629
4-chloro-2-[[cyclopropyl(ethyl)carbamoyl]amino]benzoic acid
CID 61194119
2-[[cyclopropyl(ethyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61194866
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid (CID 64520010) is 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid is O=C(O)c1ccccc1NC(=O)N(CC1CC1)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid?
The InChIKey is RMPRNIRCMSVGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(19)12-3-1-2-4-13(12)16-15(20)17(11-7-8-11)9-10-5-6-10/h1-4,10-11H,5-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid?
2-[[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]benzoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.79, 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]benzoic acid is sourced from PubChem (CID 64520010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).