2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid

C14H16N2O4 — CID 21444873

IUPAC2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
SMILESO=CN(C(=O)NC(C(=O)O)c1ccccc1)C1CCC1
InChIInChI=1S/C14H16N2O4/c17-9-16(11-7-4-8-11)14(20)15-12(13(18)19)10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2,(H,15,20)(H,18,19)
InChIKeyOVQBJWZLBNZJCY-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.53
Rot. Bonds5

About 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid

2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid (PubChem CID 21444873) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
PubChem CID21444873
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid
SMILESO=CN(C(=O)NC(C(=O)O)c1ccccc1)C1CCC1
InChIInChI=1S/C14H16N2O4/c17-9-16(11-7-4-8-11)14(20)15-12(13(18)19)10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2,(H,15,20)(H,18,19)
InChIKeyOVQBJWZLBNZJCY-UHFFFAOYSA-N
XLogP1.53
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[cyclohexyl(methyl)carbamoyl]amino]-2-phenylacetic acid
CID 61191814
(2R)-2-(dimethylcarbamoylamino)-2-phenylacetic acid
CID 59166508
2-[[ethyl(formyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444799
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-[[methyl-(2-methyloxolan-3-yl)carbamoyl]amino]-2-phenylacetic acid
CID 82729817
2-[(2-aminocyclopentanecarbonyl)amino]-2-phenylacetic acid
CID 64822644
2-[[methyl(piperidine-1-carbonyl)carbamoyl]amino]-2-phenylacetic acid
CID 21444954
2-[[methyl(3-phenylprop-2-enoyl)carbamoyl]amino]-2-phenylacetic acid
CID 54019383
(2S)-2-phenyl-2-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]acetic acid
CID 119372712
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
3-[[cyclopentyl(methyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61193959

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid (CID 21444873) is 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid is O=CN(C(=O)NC(C(=O)O)c1ccccc1)C1CCC1.
What is the InChIKey of 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
The InChIKey is OVQBJWZLBNZJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-9-16(11-7-4-8-11)14(20)15-12(13(18)19)10-5-2-1-3-6-10/h1-3,5-6,9,11-12H,4,7-8H2,(H,15,20)(H,18,19).
What are the key properties of 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid?
2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid has a molecular weight of 276.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutyl(formyl)carbamoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 21444873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).