[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid

C7H14FNO3 — CID 87493222

IUPAC[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid
SMILESCC(C)(F)C[C@@H](CO)NC(=O)O
InChIInChI=1S/C7H14FNO3/c1-7(2,8)3-5(4-10)9-6(11)12/h5,9-10H,3-4H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyKGWDCYDQVVEANY-YFKPBYRVSA-N
MW179.19 g/mol
LogP0.75
Rot. Bonds4

About [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid

[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid (PubChem CID 87493222) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid
PubChem CID87493222
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC Name[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid
SMILESCC(C)(F)C[C@@H](CO)NC(=O)O
InChIInChI=1S/C7H14FNO3/c1-7(2,8)3-5(4-10)9-6(11)12/h5,9-10H,3-4H2,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyKGWDCYDQVVEANY-YFKPBYRVSA-N
XLogP0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[1-hydroxy-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]carbamic acid
CID 87382476
[(2S)-1-hydroxy-3-methylsulfanylpropan-2-yl]carbamic acid
CID 87852620
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
[(2R)-1-(carboxyamino)-3-hydroxypropan-2-yl]carbamic acid
CID 129243469
(1-hydroxy-4-methylsulfanylbutan-2-yl)carbamic acid
CID 89486760
[(2S)-1,3-dihydroxy-3-methylbutan-2-yl]carbamic acid
CID 87853068
ethyl (4S)-2,2-difluoro-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 102462911
1-(2,2,2-trifluoroethylsulfanyl)butan-2-ylcarbamic acid
CID 130236304
[(2R)-5-(dimethylamino)-1-hydroxy-5-oxopentan-2-yl]carbamic acid
CID 87852629
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114
[(2S)-4,5-dibutyl-1-hydroxynon-4-en-2-yl]carbamic acid
CID 151625474
tert-butyl N-(1,5-dihydroxy-4,4-dimethylpentan-2-yl)carbamate
CID 20792131

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid (CID 87493222) is [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid is CC(C)(F)C[C@@H](CO)NC(=O)O.
What is the InChIKey of [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid?
The InChIKey is KGWDCYDQVVEANY-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-7(2,8)3-5(4-10)9-6(11)12/h5,9-10H,3-4H2,1-2H3,(H,11,12)/t5-/m0/s1.
What are the key properties of [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid?
[(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid has a molecular weight of 179.19 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-fluoro-1-hydroxy-4-methylpentan-2-yl]carbamic acid is sourced from PubChem (CID 87493222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).