4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

C10H18N2O5 — CID 104553066

IUPAC4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(CO)N(C)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(3-13)12(2)10(16)11-8-5-17-4-7(8)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyOLQAYBIWTGZUDL-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.89
Rot. Bonds4

About 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 104553066) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID104553066
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCC(CO)N(C)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(3-13)12(2)10(16)11-8-5-17-4-7(8)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyOLQAYBIWTGZUDL-UHFFFAOYSA-N
XLogP-0.89
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239576
4-[[ethyl(3-hydroxypropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 113468852
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 104552932
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240363
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-[[ethyl(phenyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240338
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
4-[[methyl-[(1-methylpyrazol-4-yl)methyl]carbamoyl]amino]oxolane-3-carboxylic acid
CID 66240753

Frequently Asked Questions

What is the IUPAC name of 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 104553066) is 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is CC(CO)N(C)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is OLQAYBIWTGZUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(3-13)12(2)10(16)11-8-5-17-4-7(8)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 246.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 104553066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).