2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid

C14H26N2O3 — CID 116684054

IUPAC2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CC(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)16(10(3)4)13(17)8-15-6-12(7-15)11(5)14(18)19/h9-12H,6-8H2,1-5H3,(H,18,19)
InChIKeyKLOUSCYKJYUSRP-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.28
Rot. Bonds6

About 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid

2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid (PubChem CID 116684054) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
PubChem CID116684054
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(CC(=O)N(C(C)C)C(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-9(2)16(10(3)4)13(17)8-15-6-12(7-15)11(5)14(18)19/h9-12H,6-8H2,1-5H3,(H,18,19)
InChIKeyKLOUSCYKJYUSRP-UHFFFAOYSA-N
XLogP1.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dichloroprop-2-enyl)azetidin-3-yl]propanoic acid
CID 104892422
2-[1-(3-amino-3-oxopropyl)azetidin-3-yl]propanoic acid
CID 116684049
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]propanoic acid
CID 116683997
2-[1-[2-oxo-2-(prop-2-enylamino)ethyl]azetidin-3-yl]propanoic acid
CID 116683943
2-[1-(2-morpholin-4-yl-2-oxoethyl)azetidin-3-yl]propanoic acid
CID 116684337
2-[1-[2-(cyanomethylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684074
2-[1-(2-ethylsulfanylethyl)azetidin-3-yl]propanoic acid
CID 116684199
2-[1-[2-(6-methylheptan-2-ylamino)-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116683854
2-(3-azidoazetidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 121200207
2-(4-aminopiperidin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 43556875
2-[1-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid
CID 116684363
2-[1-[(E)-3-chloroprop-2-enyl]azetidin-3-yl]propanoic acid
CID 116684092

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid (CID 116684054) is 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(CC(=O)N(C(C)C)C(C)C)C1.
What is the InChIKey of 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
The InChIKey is KLOUSCYKJYUSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)16(10(3)4)13(17)8-15-6-12(7-15)11(5)14(18)19/h9-12H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116684054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).