methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate

C9H16N2O5 — CID 107222740

IUPACmethyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C9H16N2O5/c1-15-7(13)6(12)4-11-8(14)9(10)2-3-16-5-9/h6,12H,2-5,10H2,1H3,(H,11,14)
InChIKeyQWOKATQHSPQSHO-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.25
Rot. Bonds4

About methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate

methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate (PubChem CID 107222740) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
PubChem CID107222740
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Namemethyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C9H16N2O5/c1-15-7(13)6(12)4-11-8(14)9(10)2-3-16-5-9/h6,12H,2-5,10H2,1H3,(H,11,14)
InChIKeyQWOKATQHSPQSHO-UHFFFAOYSA-N
XLogP-2.25
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2,3-dihydroxypropylamino)-2-methylpropyl]oxolane-3-carboxamide
CID 14856409
3-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyloxolane-3-carboxamide
CID 64890995
3-[(3-Aminooxolane-3-carbonyl)amino]-2-methylpropanoic acid
CID 64891025
2-[(3-Aminooxolane-3-carbonyl)amino]-3-hydroxybutanoic acid
CID 64891171
4-(3-Aminooxolane-3-carbonyl)morpholine-2-carboxylic acid
CID 64891396
Ethyl 3-[(3-aminooxolane-3-carbonyl)amino]propanoate
CID 64891988
3-amino-N-(2-hydroxy-3-methoxypropyl)oxolane-3-carboxamide
CID 64892437
Methyl 3-[(3-aminooxolane-3-carbonyl)amino]propanoate
CID 64893198
3-amino-N-[2-(2-hydroxyethoxy)ethyl]oxolane-3-carboxamide
CID 64893610
3-[(3-Aminooxolane-3-carbonyl)amino]butanoic acid
CID 64894006
3-amino-N-(2-hydroxypropyl)oxolane-3-carboxamide
CID 64894137
2-[[(3-Aminooxolane-3-carbonyl)amino]methyl]butanoic acid
CID 65224340

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate (CID 107222740) is methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)C1(N)CCOC1.
What is the InChIKey of methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate?
The InChIKey is QWOKATQHSPQSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-15-7(13)6(12)4-11-8(14)9(10)2-3-16-5-9/h6,12H,2-5,10H2,1H3,(H,11,14).
What are the key properties of methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate?
methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate has a molecular weight of 232.24 g/mol, XLogP of -2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminooxolane-3-carbonyl)amino]-2-hydroxypropanoate is sourced from PubChem (CID 107222740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).