2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid

C11H19NO4 — CID 62214579

IUPAC2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCCCO1
InChIInChI=1S/C11H19NO4/c1-8(2)12(7-10(13)14)11(15)9-5-3-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyAFVWJVARJPNJJH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds4

About 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid

2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid (PubChem CID 62214579) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid
PubChem CID62214579
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1CCCCO1
InChIInChI=1S/C11H19NO4/c1-8(2)12(7-10(13)14)11(15)9-5-3-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyAFVWJVARJPNJJH-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
N-(2-hydroxyethyl)-N-propan-2-yloxolane-2-carboxamide
CID 43573102
N-(2-aminoethyl)-N-propan-2-yloxolane-2-carboxamide
CID 61349708
3-[ethyl(oxolane-2-carbonyl)amino]butanoic acid
CID 62821547
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
N-(2-hydroxypropyl)-N-methyloxane-2-carboxamide
CID 62334074
N-(1-bromopropan-2-yl)-N-methyloxane-2-carboxamide
CID 104556334
N-(2-bromopropyl)-N-methyloxane-2-carboxamide
CID 80665099
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
CID 55151948
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
N-[(2-methylphenyl)methyl]-N-propan-2-yloxolane-2-carboxamide
CID 42789460
2-[propan-2-yl(pyrrolidine-2-carbonyl)amino]acetic acid
CID 61159901

Frequently Asked Questions

What is the IUPAC name of 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid (CID 62214579) is 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1CCCCO1.
What is the InChIKey of 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid?
The InChIKey is AFVWJVARJPNJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8(2)12(7-10(13)14)11(15)9-5-3-4-6-16-9/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid?
2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxane-2-carbonyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 62214579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).