(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

C13H22FNO4 — CID 71073451

IUPAC(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](F)C1CCCC1
InChIInChI=1S/C13H22FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)9(14)8-6-4-5-7-8/h8-10H,4-7H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+/m1/s1
InChIKeyFCYZGNZPOKTKQH-ZJUUUORDSA-N
MW275.32 g/mol
LogP2.49
Rot. Bonds4

About (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (PubChem CID 71073451) has the molecular formula C13H22FNO4 and a molecular weight of 275.32 g/mol. Its IUPAC name is (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PubChem CID71073451
Molecular FormulaC13H22FNO4
Molecular Weight275.32 g/mol
Exact Mass275.15
IUPAC Name(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](F)C1CCCC1
InChIInChI=1S/C13H22FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)9(14)8-6-4-5-7-8/h8-10H,4-7H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+/m1/s1
InChIKeyFCYZGNZPOKTKQH-ZJUUUORDSA-N
XLogP2.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid with MolForge

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Related Compounds

(2S,3S)-3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 130332365
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
(2R)-4-cyclopentyl-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 66702283
(2S)-4-cyclopentyl-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 66921346
tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-(1-amino-3,3-dicyclohexyl-1-oxopropan-2-yl)carbamate
CID 175433446
3-cyclobutyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 151027813
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
(2S)-3,3-diamino-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 154966120
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2755927

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The IUPAC name of (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid (CID 71073451) is (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
What is the SMILES notation for (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The canonical SMILES for (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](F)C1CCCC1.
What is the InChIKey of (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
The InChIKey is FCYZGNZPOKTKQH-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H22FNO4/c1-13(2,3)19-12(18)15-10(11(16)17)9(14)8-6-4-5-7-8/h8-10H,4-7H2,1-3H3,(H,15,18)(H,16,17)/t9-,10+/m1/s1.
What are the key properties of (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid?
(2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid has a molecular weight of 275.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-cyclopentyl-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid is sourced from PubChem (CID 71073451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).