2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid

C11H20N2O3 — CID 116681625

IUPAC2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCCN(CC)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-4-12(5-2)11(16)13-6-9(7-13)8(3)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyLQDUXYZRIGZXKD-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid

2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid (PubChem CID 116681625) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
PubChem CID116681625
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid
SMILESCCN(CC)C(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-4-12(5-2)11(16)13-6-9(7-13)8(3)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyLQDUXYZRIGZXKD-UHFFFAOYSA-N
XLogP1.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[ethyl(pyridin-4-ylmethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683024
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
2-[1-[2,2-difluoroethyl(methyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683653
2-[1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683119
(3S,5S)-N,N-diethyl-3,5-dimethylpiperidine-1-carboxamide
CID 7393137
3-(aminomethyl)-N,N-diethylazetidine-1-carboxamide
CID 79160798
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
CID 116683311
2-[1-[2-(diethylamino)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682803
2-[1-[cyclopropyl(3-methylbutyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683147
2-[1-[methyl(2-methylsulfanylethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683567
2-[1-[propan-2-yl(prop-2-enyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683533

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid (CID 116681625) is 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid is CCN(CC)C(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid?
The InChIKey is LQDUXYZRIGZXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-12(5-2)11(16)13-6-9(7-13)8(3)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid?
2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylcarbamoyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116681625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).