tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate

C15H30FN3O4 — CID 176716897

IUPACtert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](F)C[C@H](CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30FN3O4/c1-14(2,3)22-12(20)18-9-10(16)7-11(8-17)19-13(21)23-15(4,5)6/h10-11H,7-9,17H2,1-6H3,(H,18,20)(H,19,21)/t10-,11+/m0/s1
InChIKeyPCVLOHDQKVQHBB-WDEREUQCSA-N
MW335.42 g/mol
LogP2.09
Rot. Bonds6

About tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate

tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate (PubChem CID 176716897) has the molecular formula C15H30FN3O4 and a molecular weight of 335.42 g/mol. Its IUPAC name is tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
PubChem CID176716897
Molecular FormulaC15H30FN3O4
Molecular Weight335.42 g/mol
Exact Mass335.22
IUPAC Nametert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@@H](F)C[C@H](CN)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30FN3O4/c1-14(2,3)22-12(20)18-9-10(16)7-11(8-17)19-13(21)23-15(4,5)6/h10-11H,7-9,17H2,1-6H3,(H,18,20)(H,19,21)/t10-,11+/m0/s1
InChIKeyPCVLOHDQKVQHBB-WDEREUQCSA-N
XLogP2.09
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate
CID 57440197
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropan-2-yl]carbamate
CID 88622275
tert-butyl N-(3-amino-2-iodopropyl)carbamate
CID 118190466
tert-butyl N-[(2S)-1,5-diamino-5-oxopentan-2-yl]carbamate
CID 176793158
tert-butyl N-[(3R,5R)-6-amino-5-hydroxy-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-1-oxohexan-3-yl]carbamate
CID 10341184
tert-butyl N-[2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 130120378
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270
tert-butyl N-[(2S)-2-fluoro-3-methylbutyl]carbamate
CID 144625472
S-[2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propyl] ethanethioate
CID 140880775
tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate (CID 176716897) is tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate is CC(C)(C)OC(=O)NC[C@@H](F)C[C@H](CN)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
The InChIKey is PCVLOHDQKVQHBB-WDEREUQCSA-N. The full InChI is InChI=1S/C15H30FN3O4/c1-14(2,3)22-12(20)18-9-10(16)7-11(8-17)19-13(21)23-15(4,5)6/h10-11H,7-9,17H2,1-6H3,(H,18,20)(H,19,21)/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate?
tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate has a molecular weight of 335.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4S)-1-amino-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamate is sourced from PubChem (CID 176716897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).