2-amino-3-(1-decyltriazol-4-yl)propanoic acid

C15H28N4O2 — CID 116735123

IUPAC2-amino-3-(1-decyltriazol-4-yl)propanoic acid
SMILESCCCCCCCCCCn1cc(CC(N)C(=O)O)nn1
InChIInChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-10-19-12-13(17-18-19)11-14(16)15(20)21/h12,14H,2-11,16H2,1H3,(H,20,21)
InChIKeyPPPGKYRBLRFWCG-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.37
Rot. Bonds12

About 2-amino-3-(1-decyltriazol-4-yl)propanoic acid

2-amino-3-(1-decyltriazol-4-yl)propanoic acid (PubChem CID 116735123) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-amino-3-(1-decyltriazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(1-decyltriazol-4-yl)propanoic acid
PubChem CID116735123
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Name2-amino-3-(1-decyltriazol-4-yl)propanoic acid
SMILESCCCCCCCCCCn1cc(CC(N)C(=O)O)nn1
InChIInChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-10-19-12-13(17-18-19)11-14(16)15(20)21/h12,14H,2-11,16H2,1H3,(H,20,21)
InChIKeyPPPGKYRBLRFWCG-UHFFFAOYSA-N
XLogP2.37
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid
CID 114526544
2-amino-3-[1-(2-ethoxyethyl)triazol-4-yl]propanoic acid
CID 116735117
2-amino-3-[1-[2-(butylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116734900
2-amino-3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]propanoic acid
CID 116734904
(2S)-2-amino-3-[1-(2-(18F)fluoroethyl)triazol-4-yl]propanoic acid;hydrochloride
CID 46944244
2-amino-3-[1-(3-pyrrolidin-1-ylpropyl)triazol-4-yl]propanoic acid
CID 116735211
2-(1-heptyltriazol-4-yl)acetic acid
CID 107461252
2-amino-3-[1-[(1-methyltriazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107052617
2-amino-3-[1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-yl]propanoic acid
CID 116735187
2-amino-3-[1-(3-butoxy-2-hydroxypropyl)triazol-4-yl]propanoic acid
CID 107264355
2-amino-3-[1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735023

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-decyltriazol-4-yl)propanoic acid?
The IUPAC name of 2-amino-3-(1-decyltriazol-4-yl)propanoic acid (CID 116735123) is 2-amino-3-(1-decyltriazol-4-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(1-decyltriazol-4-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(1-decyltriazol-4-yl)propanoic acid is CCCCCCCCCCn1cc(CC(N)C(=O)O)nn1.
What is the InChIKey of 2-amino-3-(1-decyltriazol-4-yl)propanoic acid?
The InChIKey is PPPGKYRBLRFWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-2-3-4-5-6-7-8-9-10-19-12-13(17-18-19)11-14(16)15(20)21/h12,14H,2-11,16H2,1H3,(H,20,21).
What are the key properties of 2-amino-3-(1-decyltriazol-4-yl)propanoic acid?
2-amino-3-(1-decyltriazol-4-yl)propanoic acid has a molecular weight of 296.41 g/mol, XLogP of 2.37, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-decyltriazol-4-yl)propanoic acid is sourced from PubChem (CID 116735123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).