butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

C15H22F2N2O3 — CID 151604845

IUPACbutan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
SMILESCCC(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN
InChIInChI=1S/C15H22F2N2O3/c1-3-9(2)22-15(21)19-13(14(20)8-18)6-10-4-11(16)7-12(17)5-10/h4-5,7,9,13-14,20H,3,6,8,18H2,1-2H3,(H,19,21)/t9?,13-,14+/m0/s1
InChIKeyQLGFNVFVGLROBF-VOPCEASESA-N
MW316.35 g/mol
LogP1.72
Rot. Bonds7

About butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate

butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate (PubChem CID 151604845) has the molecular formula C15H22F2N2O3 and a molecular weight of 316.35 g/mol. Its IUPAC name is butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Namebutan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
PubChem CID151604845
Molecular FormulaC15H22F2N2O3
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Namebutan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate
SMILESCCC(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN
InChIInChI=1S/C15H22F2N2O3/c1-3-9(2)22-15(21)19-13(14(20)8-18)6-10-4-11(16)7-12(17)5-10/h4-5,7,9,13-14,20H,3,6,8,18H2,1-2H3,(H,19,21)/t9?,13-,14+/m0/s1
InChIKeyQLGFNVFVGLROBF-VOPCEASESA-N
XLogP1.72
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate with MolForge

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Related Compounds

N-[(2S)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
CID 143116996
ethyl (3S,4S)-5-(3,5-difluorophenyl)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 58672650
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
tert-butyl N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-methyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]butan-2-yl]carbamate
CID 21087183
N-[1-(3,5-difluorophenyl)propan-2-yl]propanamide
CID 145176133
1-(3,5-difluorophenyl)-N-ethyl-3-methylpentan-2-amine
CID 79444981
(E)-N-[(5S,6S)-6-acetamido-7-(3,5-difluorophenyl)-5-hydroxyheptan-3-yl]pent-2-enamide
CID 11176505
N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[butyl(methyl)amino]-6-cyanopyridine-4-carboxamide
CID 163582497
4-(3,5-difluorophenyl)-3-methylbutanoic acid
CID 105411374
tert-butyl N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-fluorophenyl)methylamino]-3-hydroxybutan-2-yl]carbamate
CID 142662262
N-[(4S,5S)-5-acetamido-6-(3,5-difluorophenyl)-4-hydroxyhexan-2-yl]-4-methylpentanamide
CID 11749437
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505

Frequently Asked Questions

What is the IUPAC name of butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate?
The IUPAC name of butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate (CID 151604845) is butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate?
The canonical SMILES for butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate is CCC(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN.
What is the InChIKey of butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate?
The InChIKey is QLGFNVFVGLROBF-VOPCEASESA-N. The full InChI is InChI=1S/C15H22F2N2O3/c1-3-9(2)22-15(21)19-13(14(20)8-18)6-10-4-11(16)7-12(17)5-10/h4-5,7,9,13-14,20H,3,6,8,18H2,1-2H3,(H,19,21)/t9?,13-,14+/m0/s1.
What are the key properties of butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate?
butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate has a molecular weight of 316.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl N-[(2S,3R)-4-amino-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 151604845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).