methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

C11H20N4O5 — CID 10989838

IUPACmethyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CCN=[N+]=[N-]
InChIInChI=1S/C11H20N4O5/c1-11(2,3)20-10(18)14-8(9(17)19-4)7(16)5-6-13-15-12/h7-8,16H,5-6H2,1-4H3,(H,14,18)/t7-,8+/m1/s1
InChIKeyZSWLCUHLUWPJBG-SFYZADRCSA-N
MW288.30 g/mol
LogP1.11
Rot. Bonds6

About methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (PubChem CID 10989838) has the molecular formula C11H20N4O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
PubChem CID10989838
Molecular FormulaC11H20N4O5
Molecular Weight288.30 g/mol
Exact Mass288.14
IUPAC Namemethyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
SMILESCOC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CCN=[N+]=[N-]
InChIInChI=1S/C11H20N4O5/c1-11(2,3)20-10(18)14-8(9(17)19-4)7(16)5-6-13-15-12/h7-8,16H,5-6H2,1-4H3,(H,14,18)/t7-,8+/m1/s1
InChIKeyZSWLCUHLUWPJBG-SFYZADRCSA-N
XLogP1.11
TPSA133.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

methyl 4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 23385789
4-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 18423821
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
tert-butyl N-(5-azido-3-methoxypentyl)carbamate
CID 178200963
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
methyl (2R,3R)-3-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 124652362
dimethyl (2R,3S)-2,3-bis(2-azidoethyl)butanedioate
CID 59749614
methyl 4,4,4-trifluoro-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 131841417
methyl (2R,3S)-3-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 130655477
methyl (2R)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87786553
tert-butyl 16-[[(2S)-4-azido-1-methoxy-1-oxobutan-2-yl]amino]-16-oxohexadecanoate
CID 121333114
methyl 3-fluoro-2,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 75152414

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The IUPAC name of methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate (CID 10989838) is methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate.
What is the SMILES notation for methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The canonical SMILES for methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](O)CCN=[N+]=[N-].
What is the InChIKey of methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
The InChIKey is ZSWLCUHLUWPJBG-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20N4O5/c1-11(2,3)20-10(18)14-8(9(17)19-4)7(16)5-6-13-15-12/h7-8,16H,5-6H2,1-4H3,(H,14,18)/t7-,8+/m1/s1.
What are the key properties of methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate?
methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate has a molecular weight of 288.30 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-5-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate is sourced from PubChem (CID 10989838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).