methyl (3S)-3-azidopentanoate

C6H11N3O2 — CID 58903764

IUPACmethyl (3S)-3-azidopentanoate
SMILESCC[C@@H](CC(=O)OC)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O2/c1-3-5(8-9-7)4-6(10)11-2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyRTMAYJYSLHYPPE-YFKPBYRVSA-N
MW157.17 g/mol
LogP1.64
Rot. Bonds4

About methyl (3S)-3-azidopentanoate

methyl (3S)-3-azidopentanoate (PubChem CID 58903764) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (3S)-3-azidopentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-azidopentanoate
PubChem CID58903764
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Namemethyl (3S)-3-azidopentanoate
SMILESCC[C@@H](CC(=O)OC)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O2/c1-3-5(8-9-7)4-6(10)11-2/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyRTMAYJYSLHYPPE-YFKPBYRVSA-N
XLogP1.64
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

dimethyl (2S)-2-azidobutanedioate
CID 165151832
methyl 3-azido-4-naphthalen-2-ylbutanoate
CID 174220751
3-azidopentanedioic acid
CID 150148119
methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
N-[(3R)-3-azidopentanoyl]benzamide
CID 100945185
trimethyl hexane-1,2,4-tricarboxylate
CID 58784992
2-ethyl-4-methoxy-4-oxobutanoate
CID 19842564
methyl 3-(aminomethyl)pentanoate
CID 66099134
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
methyl 3,3-dichloropropanoate
CID 522760
methyl 3,4-dimethylpentanoate
CID 554058

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-azidopentanoate?
The IUPAC name of methyl (3S)-3-azidopentanoate (CID 58903764) is methyl (3S)-3-azidopentanoate.
What is the SMILES notation for methyl (3S)-3-azidopentanoate?
The canonical SMILES for methyl (3S)-3-azidopentanoate is CC[C@@H](CC(=O)OC)N=[N+]=[N-].
What is the InChIKey of methyl (3S)-3-azidopentanoate?
The InChIKey is RTMAYJYSLHYPPE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-3-5(8-9-7)4-6(10)11-2/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of methyl (3S)-3-azidopentanoate?
methyl (3S)-3-azidopentanoate has a molecular weight of 157.17 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-azidopentanoate is sourced from PubChem (CID 58903764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).