3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid

C9H16N2O4 — CID 64894006

IUPAC3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1(N)CCOC1
InChIInChI=1S/C9H16N2O4/c1-6(4-7(12)13)11-8(14)9(10)2-3-15-5-9/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyMLZWRRQCDOMFPZ-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.92
Rot. Bonds4

About 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid

3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid (PubChem CID 64894006) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
PubChem CID64894006
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)C1(N)CCOC1
InChIInChI=1S/C9H16N2O4/c1-6(4-7(12)13)11-8(14)9(10)2-3-15-5-9/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13)
InChIKeyMLZWRRQCDOMFPZ-UHFFFAOYSA-N
XLogP-0.92
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(2S)-1-hydroxypropan-2-yl]oxane-4-carboxamide
CID 107219174
3-amino-N-but-3-yn-2-yloxolane-3-carboxamide
CID 114417231
3-amino-N-(3-methylbutyl)oxolane-3-carboxamide
CID 64892075
3-amino-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)oxolane-3-carboxamide
CID 106161513
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
CID 107222740
3-amino-N-(2-methyl-1-phenylpropyl)oxolane-3-carboxamide
CID 64891316
4-amino-N-(4-methylhexan-2-yl)oxane-4-carboxamide
CID 113280840
4-amino-N-(1-cyanopropan-2-yl)oxane-4-carboxamide
CID 115294787
3-amino-N-(2-methyl-3-methylsulfanylpropyl)oxolane-3-carboxamide
CID 64892611
4-amino-N-(1-ethylsulfanylpropan-2-yl)oxane-4-carboxamide
CID 115763417
3-amino-N-(3-methoxy-2-methylpropyl)oxolane-3-carboxamide
CID 64891602
3-amino-N-(1-thiophen-2-ylethyl)oxolane-3-carboxamide
CID 64892097

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid (CID 64894006) is 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)C1(N)CCOC1.
What is the InChIKey of 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid?
The InChIKey is MLZWRRQCDOMFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-6(4-7(12)13)11-8(14)9(10)2-3-15-5-9/h6H,2-5,10H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid?
3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminooxolane-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 64894006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).