2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid

C10H18N2O5 — CID 79457673

IUPAC2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
SMILESCC1(C(=O)NCCOCC(=O)O)COCC1N
InChIInChI=1S/C10H18N2O5/c1-10(6-17-4-7(10)11)9(15)12-2-3-16-5-8(13)14/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyLKQVAWIPULCEAZ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-1.43
Rot. Bonds6

About 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79457673) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
PubChem CID79457673
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid
SMILESCC1(C(=O)NCCOCC(=O)O)COCC1N
InChIInChI=1S/C10H18N2O5/c1-10(6-17-4-7(10)11)9(15)12-2-3-16-5-8(13)14/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyLKQVAWIPULCEAZ-UHFFFAOYSA-N
XLogP-1.43
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid (CID 79457673) is 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid is CC1(C(=O)NCCOCC(=O)O)COCC1N.
What is the InChIKey of 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is LKQVAWIPULCEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(6-17-4-7(10)11)9(15)12-2-3-16-5-8(13)14/h7H,2-6,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 246.26 g/mol, XLogP of -1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-amino-3-methyloxolane-3-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).