2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid

C10H19N5O2 — CID 114526544

IUPAC2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid
SMILESCN(C)CCCn1cc(CC(N)C(=O)O)nn1
InChIInChI=1S/C10H19N5O2/c1-14(2)4-3-5-15-7-8(12-13-15)6-9(11)10(16)17/h7,9H,3-6,11H2,1-2H3,(H,16,17)
InChIKeyCZHUUICFUVANQD-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.82
Rot. Bonds7

About 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid

2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid (PubChem CID 114526544) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid
PubChem CID114526544
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid
SMILESCN(C)CCCn1cc(CC(N)C(=O)O)nn1
InChIInChI=1S/C10H19N5O2/c1-14(2)4-3-5-15-7-8(12-13-15)6-9(11)10(16)17/h7,9H,3-6,11H2,1-2H3,(H,16,17)
InChIKeyCZHUUICFUVANQD-UHFFFAOYSA-N
XLogP-0.82
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-3-[1-[2-(dimethylamino)ethyl]triazol-4-yl]propanoic acid
CID 116734904
2-amino-3-(1-pentyltriazol-4-yl)propanoic acid
CID 91449127
2-amino-3-(1-decyltriazol-4-yl)propanoic acid
CID 116735123
2-[1-[3-(dimethylamino)propyl]triazol-4-yl]acetic acid
CID 107461296
(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-amino-3-[1-(2-ethoxyethyl)triazol-4-yl]propanoic acid
CID 116735117
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-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116735023
2-amino-3-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propanoic acid
CID 103014103
2-amino-3-[1-(2-imidazol-1-ylethyl)triazol-4-yl]propanoic acid
CID 116735014

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid (CID 114526544) is 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid is CN(C)CCCn1cc(CC(N)C(=O)O)nn1.
What is the InChIKey of 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid?
The InChIKey is CZHUUICFUVANQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-14(2)4-3-5-15-7-8(12-13-15)6-9(11)10(16)17/h7,9H,3-6,11H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid?
2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid has a molecular weight of 241.29 g/mol, XLogP of -0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-[3-(dimethylamino)propyl]triazol-4-yl]propanoic acid is sourced from PubChem (CID 114526544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).