2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid

C14H18N2O3 — CID 65345497

IUPAC2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1cccc(CC(=O)O)c1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-16(12-6-7-12)14(19)15-11-5-3-4-10(8-11)9-13(17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyAWENODJKMNPYLD-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.33
Rot. Bonds5

About 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid

2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid (PubChem CID 65345497) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
PubChem CID65345497
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
SMILESCCN(C(=O)Nc1cccc(CC(=O)O)c1)C1CC1
InChIInChI=1S/C14H18N2O3/c1-2-16(12-6-7-12)14(19)15-11-5-3-4-10(8-11)9-13(17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,15,19)(H,17,18)
InChIKeyAWENODJKMNPYLD-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-[4-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 61196177
3-[3-[[cyclopropyl(propyl)carbamoyl]amino]phenyl]propanoic acid
CID 115340620
2-[3-[[methyl(oxan-4-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345726
2-[2-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid
CID 62534801
1-(4-aminocyclohexyl)-3-(3-chlorophenyl)-1-ethylurea
CID 79115256
2-[3-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345731
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932
2-[3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]phenyl]acetic acid
CID 65345894
2-[3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]phenyl]acetic acid
CID 65345591
2-[3-(methoxycarbonylamino)phenyl]acetic acid
CID 21387794
2-[3-[[cyclopropyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 119075110
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid (CID 65345497) is 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid is CCN(C(=O)Nc1cccc(CC(=O)O)c1)C1CC1.
What is the InChIKey of 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
The InChIKey is AWENODJKMNPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-16(12-6-7-12)14(19)15-11-5-3-4-10(8-11)9-13(17)18/h3-5,8,12H,2,6-7,9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid?
2-[3-[[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-[3-[[cyclopropyl(ethyl)carbamoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 65345497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).