2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid

C9H14N4O4 — CID 66269341

IUPAC2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
SMILESCC(=O)NC(C(=O)O)c1cn(CCCO)nn1
InChIInChI=1S/C9H14N4O4/c1-6(15)10-8(9(16)17)7-5-13(12-11-7)3-2-4-14/h5,8,14H,2-4H2,1H3,(H,10,15)(H,16,17)
InChIKeyGJYIYXJTHZZXKQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.08
Rot. Bonds6

About 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid

2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid (PubChem CID 66269341) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
PubChem CID66269341
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
SMILESCC(=O)NC(C(=O)O)c1cn(CCCO)nn1
InChIInChI=1S/C9H14N4O4/c1-6(15)10-8(9(16)17)7-5-13(12-11-7)3-2-4-14/h5,8,14H,2-4H2,1H3,(H,10,15)(H,16,17)
InChIKeyGJYIYXJTHZZXKQ-UHFFFAOYSA-N
XLogP-1.08
TPSA117.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloroanilino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66268217
2-[acetyl(ethyl)amino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid
CID 66269528
ethane;3-(4-propan-2-yltriazol-1-yl)propan-1-ol
CID 170610061
2-[2-(dimethylamino)ethylamino]-2-[1-(3-hydroxypropyl)triazol-4-yl]acetamide
CID 66268955
2-(4-chloroanilino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetamide
CID 66268582
ethyl 2-(cyclopentylamino)-2-[1-(3-hydroxypropyl)triazol-4-yl]acetate
CID 66268034
5-[4-(1-aminopropyl)triazol-1-yl]pentan-1-ol
CID 106227649
2-(3-chloroanilino)-2-[1-(2-hydroxyethyl)triazol-4-yl]acetic acid
CID 66270034
4-(4-propan-2-yltriazol-1-yl)butanoic acid
CID 164942263
1-(5-hydroxypentyl)triazole-4-carboxylic acid
CID 62227732
2-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-N-propan-2-ylacetamide
CID 66270629
3-(4-ethyltriazol-1-yl)propan-1-ol
CID 115012060

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
The IUPAC name of 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid (CID 66269341) is 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid.
What is the SMILES notation for 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
The canonical SMILES for 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid is CC(=O)NC(C(=O)O)c1cn(CCCO)nn1.
What is the InChIKey of 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
The InChIKey is GJYIYXJTHZZXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-6(15)10-8(9(16)17)7-5-13(12-11-7)3-2-4-14/h5,8,14H,2-4H2,1H3,(H,10,15)(H,16,17).
What are the key properties of 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid?
2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid has a molecular weight of 242.23 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-[1-(3-hydroxypropyl)triazol-4-yl]acetic acid is sourced from PubChem (CID 66269341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).