4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid

C10H18N2O4 — CID 66236255

IUPAC4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4/c1-12(4-2-3-9(13)14)10(15)7-5-16-6-8(7)11/h7-8H,2-6,11H2,1H3,(H,13,14)
InChIKeyRAKKSSDUDSOAPC-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.72
Rot. Bonds5

About 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid

4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid (PubChem CID 66236255) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
PubChem CID66236255
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1COCC1N
InChIInChI=1S/C10H18N2O4/c1-12(4-2-3-9(13)14)10(15)7-5-16-6-8(7)11/h7-8H,2-6,11H2,1H3,(H,13,14)
InChIKeyRAKKSSDUDSOAPC-UHFFFAOYSA-N
XLogP-0.72
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
4-[(2-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 64823823
2-[(4-aminooxolane-3-carbonyl)-propylamino]acetic acid
CID 66235465
4-[methyl-(2-methyloxolane-3-carbonyl)amino]butanoic acid
CID 79750382
4-[methyl-(2-methylcyclopentanecarbonyl)amino]butanoic acid
CID 107175150
4-[(3-aminocyclopentanecarbonyl)-methylamino]butanoic acid
CID 66009609
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methyloxolane-3-carboxamide
CID 66240457
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
CID 66240452
4-amino-N,N-bis(2-hydroxyethyl)oxolane-3-carboxamide
CID 66237461
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66235837
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
CID 66237284
2-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid
CID 66235466

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid (CID 66236255) is 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1COCC1N.
What is the InChIKey of 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
The InChIKey is RAKKSSDUDSOAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-12(4-2-3-9(13)14)10(15)7-5-16-6-8(7)11/h7-8H,2-6,11H2,1H3,(H,13,14).
What are the key properties of 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid?
4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-aminooxolane-3-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 66236255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).