benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate

C16H23FN2O3 — CID 13477585

IUPACbenzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate
SMILESCC(C)NC(=O)CC[C@@H](CF)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H23FN2O3/c1-12(2)18-15(20)9-8-14(10-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyNXRXRJZATLWJNK-AWEZNQCLSA-N
MW310.37 g/mol
LogP2.56
Rot. Bonds8

About benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate

benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate (PubChem CID 13477585) has the molecular formula C16H23FN2O3 and a molecular weight of 310.37 g/mol. Its IUPAC name is benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate
PubChem CID13477585
Molecular FormulaC16H23FN2O3
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Namebenzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate
SMILESCC(C)NC(=O)CC[C@@H](CF)NC(=O)OCc1ccccc1
InChIInChI=1S/C16H23FN2O3/c1-12(2)18-15(20)9-8-14(10-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1
InChIKeyNXRXRJZATLWJNK-AWEZNQCLSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
methyl 4-methyl-2-[[6-oxo-6-phenyl-4-(phenylmethoxycarbonylamino)hexanoyl]amino]pentanoate
CID 123478644
benzyl N-[(3S)-6-[[(3S)-2,6-dioxoheptan-3-yl]amino]-2,6-dioxohexan-3-yl]carbamate
CID 130398412
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
benzyl N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 70701209
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
benzyl N-[(2S)-3-oxobutan-2-yl]carbamate
CID 59895800
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
methyl (2S)-5-oxo-5-phenyl-2-(phenylmethoxycarbonylamino)pentanoate
CID 15382400
benzyl (2S)-5-[[(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate
CID 11071675
6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 130469519

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate (CID 13477585) is benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate is CC(C)NC(=O)CC[C@@H](CF)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate?
The InChIKey is NXRXRJZATLWJNK-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H23FN2O3/c1-12(2)18-15(20)9-8-14(10-17)19-16(21)22-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,18,20)(H,19,21)/t14-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate?
benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate has a molecular weight of 310.37 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-fluoro-5-oxo-5-(propan-2-ylamino)pentan-2-yl]carbamate is sourced from PubChem (CID 13477585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).