(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid

C10H14N4O5 — CID 102945672

IUPAC(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1n[nH]c(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)n1
InChIInChI=1S/C10H14N4O5/c1-2-18-10-12-9(13-14-10)11-7(15)5-3-4-6(19-5)8(16)17/h5-6H,2-4H2,1H3,(H,16,17)(H2,11,12,13,14,15)/t5-,6+/m0/s1
InChIKeyAHNIHQAMSMNYDZ-NTSWFWBYSA-N
MW270.24 g/mol
LogP-0.23
Rot. Bonds5

About (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945672) has the molecular formula C10H14N4O5 and a molecular weight of 270.24 g/mol. Its IUPAC name is (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945672
Molecular FormulaC10H14N4O5
Molecular Weight270.24 g/mol
Exact Mass270.10
IUPAC Name(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCOc1n[nH]c(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)n1
InChIInChI=1S/C10H14N4O5/c1-2-18-10-12-9(13-14-10)11-7(15)5-3-4-6(19-5)8(16)17/h5-6H,2-4H2,1H3,(H,16,17)(H2,11,12,13,14,15)/t5-,6+/m0/s1
InChIKeyAHNIHQAMSMNYDZ-NTSWFWBYSA-N
XLogP-0.23
TPSA126.43 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

N-(3-ethoxy-1H-1,2,4-triazol-5-yl)cyclopropanecarboxamide
CID 104817634
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-5-methyloxolane-2-carboxamide
CID 83085520
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 113456463
3-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)piperidine-1,3-dicarboxamide
CID 104817596
(2R,5S)-5-[(4-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944299
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 104817854
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-5-methylpyrazine-2-carboxamide
CID 113456534
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944715
N-(3-ethoxy-1H-1,2,4-triazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 113456556
5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)amino]-3-methyl-5-oxopentanoic acid
CID 104816628
(2R,5S)-5-[(3-ethoxyphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944592
5-[(2-ethoxy-4-methylphenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687855

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid (CID 102945672) is (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid is CCOc1n[nH]c(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)n1.
What is the InChIKey of (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is AHNIHQAMSMNYDZ-NTSWFWBYSA-N. The full InChI is InChI=1S/C10H14N4O5/c1-2-18-10-12-9(13-14-10)11-7(15)5-3-4-6(19-5)8(16)17/h5-6H,2-4H2,1H3,(H,16,17)(H2,11,12,13,14,15)/t5-,6+/m0/s1.
What are the key properties of (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 270.24 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3-ethoxy-1H-1,2,4-triazol-5-yl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).