benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate

C14H21FN2O2 — CID 126765970

IUPACbenzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
SMILESCC(F)CC(C)(CN)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H21FN2O2/c1-11(15)8-14(2,10-16)17-13(18)19-9-12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3,(H,17,18)
InChIKeyXPYADYCEGYFJNY-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.38
Rot. Bonds6

About benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate

benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate (PubChem CID 126765970) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
PubChem CID126765970
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Namebenzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
SMILESCC(F)CC(C)(CN)NC(=O)OCc1ccccc1
InChIInChI=1S/C14H21FN2O2/c1-11(15)8-14(2,10-16)17-13(18)19-9-12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3,(H,17,18)
InChIKeyXPYADYCEGYFJNY-UHFFFAOYSA-N
XLogP2.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R)-1-amino-4-fluoro-2-methylbutan-2-yl]carbamate
CID 129412141
(3S)-3,5-dimethyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 54094941
benzyl N-(1-amino-5,5,5-trifluoro-2-methylpentan-2-yl)carbamate
CID 86724733
benzyl N-[1-amino-2-methyl-4-(trimethyl-λ4-sulfanyl)butan-2-yl]carbamate
CID 126611804
benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 54087673
benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
CID 126639455
(3S)-3-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 146168448
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 118276566
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate?
The IUPAC name of benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate (CID 126765970) is benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate?
The canonical SMILES for benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate is CC(F)CC(C)(CN)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate?
The InChIKey is XPYADYCEGYFJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-11(15)8-14(2,10-16)17-13(18)19-9-12-6-4-3-5-7-12/h3-7,11H,8-10,16H2,1-2H3,(H,17,18).
What are the key properties of benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate?
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate has a molecular weight of 268.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate is sourced from PubChem (CID 126765970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).