2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid

C13H14F2N2O3 — CID 63792258

IUPAC2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(NCc1cc(F)ccc1F)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-3-4-10(15)8(5-9)6-16-13(20)17-11(12(18)19)7-1-2-7/h3-5,7,11H,1-2,6H2,(H,18,19)(H2,16,17,20)
InChIKeyROVFDDLKVFKGTK-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.63
Rot. Bonds5

About 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid

2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid (PubChem CID 63792258) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
PubChem CID63792258
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(NCc1cc(F)ccc1F)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-3-4-10(15)8(5-9)6-16-13(20)17-11(12(18)19)7-1-2-7/h3-5,7,11H,1-2,6H2,(H,18,19)(H2,16,17,20)
InChIKeyROVFDDLKVFKGTK-UHFFFAOYSA-N
XLogP1.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
CID 62711747
(2R)-4-amino-2-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107827847
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
2-[(2-chloro-5-fluorophenyl)methylamino]-2-cyclopropylacetic acid
CID 102616831
4-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63792431
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013
1-[(2,5-difluorophenyl)methyl]-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111455268
2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
CID 65059821
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid (CID 63792258) is 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid is O=C(NCc1cc(F)ccc1F)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid?
The InChIKey is ROVFDDLKVFKGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-9-3-4-10(15)8(5-9)6-16-13(20)17-11(12(18)19)7-1-2-7/h3-5,7,11H,1-2,6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid has a molecular weight of 284.26 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 63792258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).