4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid

C11H16N4O4 — CID 66237147

IUPAC4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCn1ccnn1)C1COCC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-14(9-7-19-6-8(9)11(17)18)10(16)2-4-15-5-3-12-13-15/h3,5,8-9H,2,4,6-7H2,1H3,(H,17,18)
InChIKeyIWVXXSNXRMQBEN-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.77
Rot. Bonds5

About 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid

4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid (PubChem CID 66237147) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid
PubChem CID66237147
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid
SMILESCN(C(=O)CCn1ccnn1)C1COCC1C(=O)O
InChIInChI=1S/C11H16N4O4/c1-14(9-7-19-6-8(9)11(17)18)10(16)2-4-15-5-3-12-13-15/h3,5,8-9H,2,4,6-7H2,1H3,(H,17,18)
InChIKeyIWVXXSNXRMQBEN-UHFFFAOYSA-N
XLogP-0.77
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[2-(tetrazol-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 66236144
4-[hexanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66236749
4-[3-(ethylamino)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235417
4-[3-acetamidopropanoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66235946
4-[methyl(3-phenoxypropanoyl)amino]oxolane-3-carboxylic acid
CID 66238376
4-[3-(furan-2-yl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 66238169
4-[3-(4-aminophenyl)propanoyl-methylamino]oxolane-3-carboxylic acid
CID 115341532
4-[methyl-[(1-methylimidazol-2-yl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266133
4-[methyl-[2-(1-methylimidazol-2-yl)ethylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66266922
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430
4-[(2-butylsulfanylacetyl)-methylamino]oxolane-3-carboxylic acid
CID 66235341
3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 114278479

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid (CID 66237147) is 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid is CN(C(=O)CCn1ccnn1)C1COCC1C(=O)O.
What is the InChIKey of 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is IWVXXSNXRMQBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-14(9-7-19-6-8(9)11(17)18)10(16)2-4-15-5-3-12-13-15/h3,5,8-9H,2,4,6-7H2,1H3,(H,17,18).
What are the key properties of 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid?
4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(triazol-1-yl)propanoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).