2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid

C13H13N3O3 — CID 62695579

IUPAC2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid
SMILESN#Cc1ccc(NC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H13N3O3/c14-7-8-1-5-10(6-2-8)15-13(19)16-11(12(17)18)9-3-4-9/h1-2,5-6,9,11H,3-4H2,(H,17,18)(H2,15,16,19)
InChIKeyFAQQPOBOGDLIMA-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.54
Rot. Bonds4

About 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid

2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid (PubChem CID 62695579) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid.

Molecular Properties

Compound Name2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid
PubChem CID62695579
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid
SMILESN#Cc1ccc(NC(=O)NC(C(=O)O)C2CC2)cc1
InChIInChI=1S/C13H13N3O3/c14-7-8-1-5-10(6-2-8)15-13(19)16-11(12(17)18)9-3-4-9/h1-2,5-6,9,11H,3-4H2,(H,17,18)(H2,15,16,19)
InChIKeyFAQQPOBOGDLIMA-UHFFFAOYSA-N
XLogP1.54
TPSA102.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3-ethynylphenyl)carbamoylamino]acetic acid
CID 62697749
(2R)-2-acetamido-N-(4-cyanophenyl)-2-cyclopentylacetamide
CID 25469679
(2R)-2-[(4-cyanophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005089
1-(4-cyanophenyl)-3-(3-methylbutan-2-yl)urea
CID 47159354
1-(4-cyanophenyl)-3-(1-piperidin-3-ylethyl)urea
CID 62047244
2-(2-bromo-4-cyanoanilino)-2-cyclopropylacetic acid
CID 82797571
2-cyclopropyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetic acid
CID 62695460
2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-2-cyclopropylacetic acid
CID 62695830
1-[(2R)-1-aminopropan-2-yl]-3-(4-cyanophenyl)urea
CID 104877168
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
(2S)-2-[(4-cyanophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 28509770
2-cyclopropyl-2-[(3-sulfamoylphenyl)carbamoylamino]acetic acid
CID 62711551

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid?
The IUPAC name of 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid (CID 62695579) is 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid.
What is the SMILES notation for 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid?
The canonical SMILES for 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid is N#Cc1ccc(NC(=O)NC(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid?
The InChIKey is FAQQPOBOGDLIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-7-8-1-5-10(6-2-8)15-13(19)16-11(12(17)18)9-3-4-9/h1-2,5-6,9,11H,3-4H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid?
2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid has a molecular weight of 259.26 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)carbamoylamino]-2-cyclopropylacetic acid is sourced from PubChem (CID 62695579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).