(2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid

C14H18F2N2O3 — CID 79009319

IUPAC(2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C14H18F2N2O3/c1-8(2)12(13(19)20)18-14(21)17-4-3-9-5-10(15)7-11(16)6-9/h5-8,12H,3-4H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1
InChIKeyMFKVCZYVJZWCKZ-GFCCVEGCSA-N
MW300.31 g/mol
LogP1.92
Rot. Bonds6

About (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid

(2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid (PubChem CID 79009319) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
PubChem CID79009319
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name(2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid
SMILESCC(C)[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)C(=O)O
InChIInChI=1S/C14H18F2N2O3/c1-8(2)12(13(19)20)18-14(21)17-4-3-9-5-10(15)7-11(16)6-9/h5-8,12H,3-4H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1
InChIKeyMFKVCZYVJZWCKZ-GFCCVEGCSA-N
XLogP1.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3,5-difluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 79009860
(2S)-3-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404555
2-[2-(3-methoxyphenyl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 108900910
(2S)-2-[2-(4-fluorophenyl)ethylcarbamoylamino]-3-methylbutanoate
CID 2011301
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
(2S)-2-[(2,4-difluorophenyl)methylcarbamoylamino]-3-methylbutanoic acid
CID 62227773
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
(2R)-N-[2-(3-fluorophenyl)ethyl]-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 32934158
N-[2-(3,5-difluorophenyl)ethyl]-3-methyl-2-[(2-naphthalen-2-ylacetyl)amino]butanamide
CID 60610137
methyl 3-methyl-2-(2-phenylethylcarbamoylamino)butanoate
CID 3952798
3-methyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 64526101
(2S)-3-methyl-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 64523717

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid (CID 79009319) is (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid is CC(C)[C@@H](NC(=O)NCCc1cc(F)cc(F)c1)C(=O)O.
What is the InChIKey of (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid?
The InChIKey is MFKVCZYVJZWCKZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-8(2)12(13(19)20)18-14(21)17-4-3-9-5-10(15)7-11(16)6-9/h5-8,12H,3-4H2,1-2H3,(H,19,20)(H2,17,18,21)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid?
(2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid has a molecular weight of 300.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(3,5-difluorophenyl)ethylcarbamoylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79009319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).