2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid

C14H18N2O3 — CID 62534801

IUPAC2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1ccccc1CC(=O)O)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-16(11-7-8-11)14(19)15-12-6-4-3-5-10(12)9-13(17)18/h3-6,11H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyLHBHDWDECNYNDK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.33
Rot. Bonds5

About 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid

2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 62534801) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID62534801
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1ccccc1CC(=O)O)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-16(11-7-8-11)14(19)15-12-6-4-3-5-10(12)9-13(17)18/h3-6,11H,2,7-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyLHBHDWDECNYNDK-UHFFFAOYSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]phenyl]acetic acid
CID 62535184
2-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 65345497
3-(2-benzylphenyl)-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 110890631
2-[cyclopropyl-[(2-iodophenyl)carbamoyl]amino]acetic acid
CID 54978431
2-[(2-bromophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978712
2-[2-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]phenyl]acetic acid
CID 104553186
4-[[cyclopropyl(ethyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61196555
3-[cyclopropyl-[(2-methylsulfanylphenyl)carbamoyl]amino]propanoic acid
CID 107642341
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
2-[2-[[2-hydroxyethyl(propyl)carbamoyl]amino]phenyl]acetic acid
CID 62535180
3-[[cyclohexyl(ethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 104743197

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid (CID 62534801) is 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid is CCN(C(=O)Nc1ccccc1CC(=O)O)C1CC1.
What is the InChIKey of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is LHBHDWDECNYNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(11-7-8-11)14(19)15-12-6-4-3-5-10(12)9-13(17)18/h3-6,11H,2,7-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 62534801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).