(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane

C10H15N5O2 — CID 161110121

IUPAC(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane
SMILESC.[N-]=[N+]=NCc1ccnc(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C9H11N5O2.CH4/c10-8(9(15)16)4-7-3-6(1-2-12-7)5-13-14-11;/h1-3,8H,4-5,10H2,(H,15,16);1H4/t8-;/m0./s1
InChIKeyUJOQTELVMLSXFQ-QRPNPIFTSA-N
MW237.26 g/mol
LogP1.48
Rot. Bonds5

About (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane

(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane (PubChem CID 161110121) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane
PubChem CID161110121
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane
SMILESC.[N-]=[N+]=NCc1ccnc(C[C@H](N)C(=O)O)c1
InChIInChI=1S/C9H11N5O2.CH4/c10-8(9(15)16)4-7-3-6(1-2-12-7)5-13-14-11;/h1-3,8H,4-5,10H2,(H,15,16);1H4/t8-;/m0./s1
InChIKeyUJOQTELVMLSXFQ-QRPNPIFTSA-N
XLogP1.48
TPSA124.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.48
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'}

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Related Compounds

2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid
CID 55268385
(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride
CID 159601747
2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69490346
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
2-amino-3-[4-(1-fluoroethyl)-2-pyridinyl]propanoic acid
CID 18439519
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-amino-3-pyrazin-2-ylpropanoic acid;hydrochloride
CID 178184520
lithium;acetyl acetate;(2S)-2-amino-3-[5-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[5-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-2-(chloroamino)-3-[5-(hydroxymethyl)-2-pyridinyl]propanoate;methyl (2S)-3-[5-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;hydroxide
CID 159854026
2-amino-3-(2-ethoxycarbonyl-4-pyridinyl)propanoic acid
CID 90034851
CID 159276991
CID 159276991
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;(2S)-2-amino-3-pyridin-3-ylpropanoic acid
CID 69091689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane?
The IUPAC name of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane (CID 161110121) is (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane.
What is the SMILES notation for (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane?
The canonical SMILES for (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane is C.[N-]=[N+]=NCc1ccnc(C[C@H](N)C(=O)O)c1.
What is the InChIKey of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane?
The InChIKey is UJOQTELVMLSXFQ-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H11N5O2.CH4/c10-8(9(15)16)4-7-3-6(1-2-12-7)5-13-14-11;/h1-3,8H,4-5,10H2,(H,15,16);1H4/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane?
(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane has a molecular weight of 237.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;methane is sourced from PubChem (CID 161110121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).