2-(3-azidopropylamino)-3-hydroxypropanoic acid

C6H12N4O3 — CID 104711302

IUPAC2-(3-azidopropylamino)-3-hydroxypropanoic acid
SMILES[N-]=[N+]=NCCCNC(CO)C(=O)O
InChIInChI=1S/C6H12N4O3/c7-10-9-3-1-2-8-5(4-11)6(12)13/h5,8,11H,1-4H2,(H,12,13)
InChIKeyJEMBHYAFJMEOAT-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.28
Rot. Bonds7

About 2-(3-azidopropylamino)-3-hydroxypropanoic acid

2-(3-azidopropylamino)-3-hydroxypropanoic acid (PubChem CID 104711302) has the molecular formula C6H12N4O3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-(3-azidopropylamino)-3-hydroxypropanoic acid
PubChem CID104711302
Molecular FormulaC6H12N4O3
Molecular Weight188.19 g/mol
Exact Mass188.09
IUPAC Name2-(3-azidopropylamino)-3-hydroxypropanoic acid
SMILES[N-]=[N+]=NCCCNC(CO)C(=O)O
InChIInChI=1S/C6H12N4O3/c7-10-9-3-1-2-8-5(4-11)6(12)13/h5,8,11H,1-4H2,(H,12,13)
InChIKeyJEMBHYAFJMEOAT-UHFFFAOYSA-N
XLogP-0.28
TPSA118.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

3-(3-azidopropylamino)-2-(methylamino)propanoic acid
CID 174215781
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
2-(2-azidoethylamino)pentanoic acid
CID 66191397
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
16-[(3-azido-1-carboxypropyl)amino]-6-oxohexadecanoic acid
CID 134363451
2-(2-azidoethylamino)octanoic acid
CID 66190006
2-(3-azidopropylamino)-2-(4-hydroxyphenyl)acetic acid
CID 66189497
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
2-(3-azidopropylamino)-2-(4-bromophenyl)acetic acid
CID 66190101
2-(3-azidopropylamino)-2-(4-iodophenyl)acetic acid
CID 114283036
2-(3-azidopropylamino)-2-(3-chloro-5-fluorophenyl)acetic acid
CID 114453718
(2R)-6-azido-2-(4-azidobutanoylamino)hexanoic acid
CID 164574979

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-3-hydroxypropanoic acid?
The IUPAC name of 2-(3-azidopropylamino)-3-hydroxypropanoic acid (CID 104711302) is 2-(3-azidopropylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for 2-(3-azidopropylamino)-3-hydroxypropanoic acid?
The canonical SMILES for 2-(3-azidopropylamino)-3-hydroxypropanoic acid is [N-]=[N+]=NCCCNC(CO)C(=O)O.
What is the InChIKey of 2-(3-azidopropylamino)-3-hydroxypropanoic acid?
The InChIKey is JEMBHYAFJMEOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O3/c7-10-9-3-1-2-8-5(4-11)6(12)13/h5,8,11H,1-4H2,(H,12,13).
What are the key properties of 2-(3-azidopropylamino)-3-hydroxypropanoic acid?
2-(3-azidopropylamino)-3-hydroxypropanoic acid has a molecular weight of 188.19 g/mol, XLogP of -0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 104711302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).