2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid

C14H25N3O3 — CID 64618080

IUPAC2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
SMILESCCN(CC)C1CCN(C(=O)N2CC(CC(=O)O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-3-15(4-2)12-5-6-16(10-12)14(20)17-8-11(9-17)7-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyLNGKVKCDBSVPRC-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.93
Rot. Bonds5

About 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid

2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid (PubChem CID 64618080) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
PubChem CID64618080
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
SMILESCCN(CC)C1CCN(C(=O)N2CC(CC(=O)O)C2)C1
InChIInChI=1S/C14H25N3O3/c1-3-15(4-2)12-5-6-16(10-12)14(20)17-8-11(9-17)7-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyLNGKVKCDBSVPRC-UHFFFAOYSA-N
XLogP0.93
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]propanoic acid
CID 116683311
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 79181595
2-[1-(4-ethoxypiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617036
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid (CID 64618080) is 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid is CCN(CC)C1CCN(C(=O)N2CC(CC(=O)O)C2)C1.
What is the InChIKey of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid?
The InChIKey is LNGKVKCDBSVPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-15(4-2)12-5-6-16(10-12)14(20)17-8-11(9-17)7-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid?
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64618080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).