3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid

C14H18N2O3 — CID 115340883

IUPAC3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid
SMILESCC1CC1NC(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c1-9-8-12(9)16-14(19)15-11-5-2-10(3-6-11)4-7-13(17)18/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRZSNBMHYOQKZHH-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.23
Rot. Bonds5

About 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid

3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid (PubChem CID 115340883) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid
PubChem CID115340883
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid
SMILESCC1CC1NC(=O)Nc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C14H18N2O3/c1-9-8-12(9)16-14(19)15-11-5-2-10(3-6-11)4-7-13(17)18/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyRZSNBMHYOQKZHH-UHFFFAOYSA-N
XLogP2.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[(2-methylcyclopropyl)carbamoylamino]benzoyl]amino]acetic acid
CID 62408634
3-[4-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]phenyl]propanoic acid
CID 115340995
3-[4-(1-adamantylcarbamoylamino)phenyl]propanoic acid
CID 11595336
2-[(4-propylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815927
3-[4-(cyclobutylmethylcarbamoylamino)phenyl]propanoic acid
CID 115340644
3-[4-[(N'-methylcarbamimidoyl)amino]phenyl]propanoic acid
CID 68909409
3-[4-(carboniodidoylamino)phenyl]propanoic acid
CID 145154280
1-[4-[1-(methylamino)ethyl]phenyl]-3-(2-methylcyclopropyl)urea
CID 55071535
3-[4-[3-(methylamino)propylcarbamoylamino]phenyl]propanoic acid
CID 115340770
3-[4-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]phenyl]propanoic acid
CID 98870422
3-[4-(2-methylsulfanylethylcarbamoylamino)phenyl]propanoic acid
CID 115340942
3-[4-(piperidin-1-ylcarbamoylamino)phenyl]propanoic acid
CID 83017333

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid (CID 115340883) is 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid is CC1CC1NC(=O)Nc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid?
The InChIKey is RZSNBMHYOQKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-8-12(9)16-14(19)15-11-5-2-10(3-6-11)4-7-13(17)18/h2-3,5-6,9,12H,4,7-8H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid?
3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-methylcyclopropyl)carbamoylamino]phenyl]propanoic acid is sourced from PubChem (CID 115340883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).