methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate

C10H18N2O4 — CID 66237074

IUPACmethyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4/c1-15-9(13)3-2-4-12-10(14)7-5-16-6-8(7)11/h7-8H,2-6,11H2,1H3,(H,12,14)
InChIKeyIEGQBXBBLYYKKR-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.97
Rot. Bonds5

About methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate

methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate (PubChem CID 66237074) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
PubChem CID66237074
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4/c1-15-9(13)3-2-4-12-10(14)7-5-16-6-8(7)11/h7-8H,2-6,11H2,1H3,(H,12,14)
InChIKeyIEGQBXBBLYYKKR-UHFFFAOYSA-N
XLogP-0.97
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
CID 66235647
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397
4-amino-N-(2-ethoxyethyl)oxolane-3-carboxamide
CID 66239012
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
4-amino-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66237706
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 66235652
4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide
CID 66237884
4-amino-N-(2-ethoxy-2-methylpropyl)oxolane-3-carboxamide
CID 114942260
4-amino-N-[2-(3-methylcyclohexyl)ethyl]oxolane-3-carboxamide
CID 66237509
methyl 4-[[(4-aminooxolane-3-carbonyl)amino]methyl]benzoate
CID 66237277

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate (CID 66237074) is methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate is COC(=O)CCCNC(=O)C1COCC1N.
What is the InChIKey of methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate?
The InChIKey is IEGQBXBBLYYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-15-9(13)3-2-4-12-10(14)7-5-16-6-8(7)11/h7-8H,2-6,11H2,1H3,(H,12,14).
What are the key properties of methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate?
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate has a molecular weight of 230.26 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate is sourced from PubChem (CID 66237074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).