2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid

C10H18N2O6S — CID 66235445

IUPAC2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
SMILESCS(=O)(=O)CCC(NC(=O)C1COCC1N)C(=O)O
InChIInChI=1S/C10H18N2O6S/c1-19(16,17)3-2-8(10(14)15)12-9(13)6-4-18-5-7(6)11/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyKZESWFMPOVNDDM-UHFFFAOYSA-N
MW294.33 g/mol
LogP-2.04
Rot. Bonds6

About 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid

2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid (PubChem CID 66235445) has the molecular formula C10H18N2O6S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid.

Molecular Properties

Compound Name2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
PubChem CID66235445
Molecular FormulaC10H18N2O6S
Molecular Weight294.33 g/mol
Exact Mass294.09
IUPAC Name2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid
SMILESCS(=O)(=O)CCC(NC(=O)C1COCC1N)C(=O)O
InChIInChI=1S/C10H18N2O6S/c1-19(16,17)3-2-8(10(14)15)12-9(13)6-4-18-5-7(6)11/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15)
InChIKeyKZESWFMPOVNDDM-UHFFFAOYSA-N
XLogP-2.04
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-aminooxolane-3-carbonyl)amino]-4-methylpentanoic acid
CID 66237264
4-methylsulfonyl-2-(oxolane-3-carbonylamino)butanoic acid
CID 61272830
2-(bicyclo[2.2.1]hept-5-ene-2-carbonylamino)-4-methylsulfonylbutanoic acid
CID 43104112
2-(carbamoylamino)-4-methylsulfonylbutanoic acid
CID 18073072
2-[(4-aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 66237262
4-amino-N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
CID 66240011
4-amino-N-(4-methoxybutan-2-yl)oxolane-3-carboxamide
CID 66237512
2-(cyclopropylcarbamoylamino)-4-methylsulfonylbutanoic acid
CID 61188645
(2R)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 104894520
(2S)-2-[(4-aminooxolane-3-carbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 66236866
2-[(3-methylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61209766
4-methylsulfonyl-2-(thiane-2-carbonylamino)butanoic acid
CID 80593513

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The IUPAC name of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid (CID 66235445) is 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid.
What is the SMILES notation for 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The canonical SMILES for 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid is CS(=O)(=O)CCC(NC(=O)C1COCC1N)C(=O)O.
What is the InChIKey of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
The InChIKey is KZESWFMPOVNDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6S/c1-19(16,17)3-2-8(10(14)15)12-9(13)6-4-18-5-7(6)11/h6-8H,2-5,11H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid?
2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid has a molecular weight of 294.33 g/mol, XLogP of -2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxolane-3-carbonyl)amino]-4-methylsulfonylbutanoic acid is sourced from PubChem (CID 66235445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).