(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid

C10H14F2N2O4 — CID 114226244

IUPAC(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H14F2N2O4/c11-10(12)2-1-5(4-10)8(16)14-6(9(17)18)3-7(13)15/h5-6H,1-4H2,(H2,13,15)(H,14,16)(H,17,18)/t5?,6-/m1/s1
InChIKeyNMVSNVNVHWCELE-PRJDIBJQSA-N
MW264.23 g/mol
LogP-0.13
Rot. Bonds5

About (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid

(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid (PubChem CID 114226244) has the molecular formula C10H14F2N2O4 and a molecular weight of 264.23 g/mol. Its IUPAC name is (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid
PubChem CID114226244
Molecular FormulaC10H14F2N2O4
Molecular Weight264.23 g/mol
Exact Mass264.09
IUPAC Name(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1CCC(F)(F)C1)C(=O)O
InChIInChI=1S/C10H14F2N2O4/c11-10(12)2-1-5(4-10)8(16)14-6(9(17)18)3-7(13)15/h5-6H,1-4H2,(H2,13,15)(H,14,16)(H,17,18)/t5?,6-/m1/s1
InChIKeyNMVSNVNVHWCELE-PRJDIBJQSA-N
XLogP-0.13
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 114226143
(2S)-4-amino-2-[(1-methylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid
CID 110837241
4-amino-2-[(4-tert-butylcyclohexanecarbonyl)amino]-4-oxobutanoic acid
CID 43092294
2-[(3,3-difluorocyclohexanecarbonyl)amino]pent-4-ynoic acid
CID 114226223
(2S,3S)-2-[(3,3-difluorocyclopentanecarbonyl)amino]-3-methylpentanoic acid
CID 114226158
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
4-amino-2-(oxane-3-carbonylamino)-4-oxobutanoic acid
CID 55110091
(2S)-4-amino-2-[[2-(aminomethyl)cyclohexanecarbonyl]amino]-4-oxobutanoic acid
CID 107824651
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
4-amino-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]-4-oxobutanoic acid
CID 43171434

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid (CID 114226244) is (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C1CCC(F)(F)C1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
The InChIKey is NMVSNVNVHWCELE-PRJDIBJQSA-N. The full InChI is InChI=1S/C10H14F2N2O4/c11-10(12)2-1-5(4-10)8(16)14-6(9(17)18)3-7(13)15/h5-6H,1-4H2,(H2,13,15)(H,14,16)(H,17,18)/t5?,6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid has a molecular weight of 264.23 g/mol, XLogP of -0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(3,3-difluorocyclopentanecarbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 114226244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).