(3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

C11H19FN4O4 — CID 91233728

IUPAC(3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC(=O)O)C[C@@H](F)CN=[N+]=[N-]
InChIInChI=1S/C11H19FN4O4/c1-11(2,3)20-10(19)15-8(5-9(17)18)4-7(12)6-14-16-13/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)/t7-,8+/m1/s1
InChIKeyQPXAFNGHHOIIIU-SFYZADRCSA-N
MW290.30 g/mol
LogP2.39
Rot. Bonds7

About (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

(3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (PubChem CID 91233728) has the molecular formula C11H19FN4O4 and a molecular weight of 290.30 g/mol. Its IUPAC name is (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

Molecular Properties

Compound Name(3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
PubChem CID91233728
Molecular FormulaC11H19FN4O4
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name(3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CC(=O)O)C[C@@H](F)CN=[N+]=[N-]
InChIInChI=1S/C11H19FN4O4/c1-11(2,3)20-10(19)15-8(5-9(17)18)4-7(12)6-14-16-13/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)/t7-,8+/m1/s1
InChIKeyQPXAFNGHHOIIIU-SFYZADRCSA-N
XLogP2.39
TPSA124.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid with MolForge

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Related Compounds

tert-butyl (2S,4S)-5-azido-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 166000415
(3S)-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 2761526
(3R)-5-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 131637281
(3S)-4-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 118280254
tert-butyl N-[(2R)-1-azido-3-benzylsulfanylpropan-2-yl]carbamate
CID 25058800
(3S)-6-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexanoic acid
CID 162371906
4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 18423821
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
tert-butyl N-(3-azido-2-hydroxypropyl)carbamate
CID 58981724
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
tert-butyl N-[(2R,3R,4S)-5-azido-3-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-2-yl]carbamate
CID 123156364
tert-butyl N-[1,5-bis[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1,5-dioxopentan-3-yl]carbamate
CID 155257760

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The IUPAC name of (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid (CID 91233728) is (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.
What is the SMILES notation for (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The canonical SMILES for (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is CC(C)(C)OC(=O)N[C@H](CC(=O)O)C[C@@H](F)CN=[N+]=[N-].
What is the InChIKey of (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
The InChIKey is QPXAFNGHHOIIIU-SFYZADRCSA-N. The full InChI is InChI=1S/C11H19FN4O4/c1-11(2,3)20-10(19)15-8(5-9(17)18)4-7(12)6-14-16-13/h7-8H,4-6H2,1-3H3,(H,15,19)(H,17,18)/t7-,8+/m1/s1.
What are the key properties of (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid?
(3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid has a molecular weight of 290.30 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-6-azido-5-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid is sourced from PubChem (CID 91233728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).