2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid

C13H14F2N2O3 — CID 62711747

IUPAC2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(NCc1ccc(F)c(F)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-4-1-7(5-10(9)15)6-16-13(20)17-11(12(18)19)8-2-3-8/h1,4-5,8,11H,2-3,6H2,(H,18,19)(H2,16,17,20)
InChIKeyCZUCWCMCDVEVST-UHFFFAOYSA-N
MW284.26 g/mol
LogP1.63
Rot. Bonds5

About 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid

2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid (PubChem CID 62711747) has the molecular formula C13H14F2N2O3 and a molecular weight of 284.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
PubChem CID62711747
Molecular FormulaC13H14F2N2O3
Molecular Weight284.26 g/mol
Exact Mass284.10
IUPAC Name2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid
SMILESO=C(NCc1ccc(F)c(F)c1)NC(C(=O)O)C1CC1
InChIInChI=1S/C13H14F2N2O3/c14-9-4-1-7(5-10(9)15)6-16-13(20)17-11(12(18)19)8-2-3-8/h1,4-5,8,11H,2-3,6H2,(H,18,19)(H2,16,17,20)
InChIKeyCZUCWCMCDVEVST-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-[(2,5-difluorophenyl)methylcarbamoylamino]acetic acid
CID 63792258
2-cyclopropyl-2-[(4-methylphenyl)methylcarbamoylamino]acetic acid
CID 62710013
2-[(3,4-difluorophenyl)methylcarbamoylamino]propanoic acid
CID 54967577
2-(benzylcarbamoylamino)-2-cyclohexylacetic acid
CID 61182880
3-[(3,4-difluorophenyl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66167613
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
(2S)-2-[(3,4-difluorophenyl)methylcarbamoylamino]-3-methylbutanamide
CID 119059639
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
CID 110781018
3-[(3,4-difluorophenyl)methylcarbamoylamino]-2-methoxypropanoic acid
CID 106109931
2-cyclopropyl-2-(pyridin-2-ylmethylcarbamoylamino)acetic acid
CID 62709675
1-amino-N-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxamide
CID 65465374

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid (CID 62711747) is 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid is O=C(NCc1ccc(F)c(F)c1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid?
The InChIKey is CZUCWCMCDVEVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O3/c14-9-4-1-7(5-10(9)15)6-16-13(20)17-11(12(18)19)8-2-3-8/h1,4-5,8,11H,2-3,6H2,(H,18,19)(H2,16,17,20).
What are the key properties of 2-cyclopropyl-2-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid?
2-cyclopropyl-2-[(3,4-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-[(3,4-difluorophenyl)methylcarbamoylamino]acetic acid is sourced from PubChem (CID 62711747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).