2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid

C11H20N2O4 — CID 113280683

IUPAC2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H20N2O4/c1-8(2)13(7-9(14)15)10(16)11(12)3-5-17-6-4-11/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyBOGQIZBYSCFILQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.18
Rot. Bonds4

About 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid

2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 113280683) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID113280683
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)C1(N)CCOCC1
InChIInChI=1S/C11H20N2O4/c1-8(2)13(7-9(14)15)10(16)11(12)3-5-17-6-4-11/h8H,3-7,12H2,1-2H3,(H,14,15)
InChIKeyBOGQIZBYSCFILQ-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-N-propan-2-yloxane-4-carboxamide
CID 115293731
4-amino-N-(2-methoxyethyl)-N-propan-2-yloxane-4-carboxamide
CID 82948017
3-amino-N-propan-2-yl-N-propyloxolane-3-carboxamide
CID 64892499
4-amino-N-(2-methylpropyl)-N-pentan-3-yloxane-4-carboxamide
CID 115295136
4-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 115294700
4-amino-N-methyl-N-(2-methylpropyl)oxane-4-carboxamide
CID 115293667
4-amino-N-(1-hydroxypropan-2-yl)-N-methyloxane-4-carboxamide
CID 104551857
4-amino-N,N-diethyloxane-4-carboxamide
CID 115293439
3-[(1-aminocyclohexanecarbonyl)-propan-2-ylamino]propanoic acid
CID 61161466
1-amino-N-propan-2-yl-N-propylcyclopropane-1-carboxamide
CID 65466563
3-amino-N-butan-2-yl-N-ethyloxolane-3-carboxamide
CID 64892703
4-[(4-aminooxane-4-carbonyl)-methylamino]butanoic acid
CID 113280677

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid (CID 113280683) is 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)C1(N)CCOCC1.
What is the InChIKey of 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is BOGQIZBYSCFILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)13(7-9(14)15)10(16)11(12)3-5-17-6-4-11/h8H,3-7,12H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid?
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 113280683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).