2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid

C9H16N2O3 — CID 64605625

IUPAC2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
SMILESCCNCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-2-10-4-8(12)11-5-7(6-11)3-9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyKXTLOALPQOKFNQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds5

About 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid

2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid (PubChem CID 64605625) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
PubChem CID64605625
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
SMILESCCNCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-2-10-4-8(12)11-5-7(6-11)3-9(13)14/h7,10H,2-6H2,1H3,(H,13,14)
InChIKeyKXTLOALPQOKFNQ-UHFFFAOYSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxypyrrolidin-1-yl)-2-(ethylamino)ethanone
CID 103533144
2-(ethylamino)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 114536651
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
CID 64603746
2-[1-(2-ethylbutanoyl)azetidin-3-yl]acetic acid
CID 64604130
2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
CID 64605399
2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592
2-[1-(hex-1-yn-3-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 106232396
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
CID 79555425

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid (CID 64605625) is 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid is CCNCC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid?
The InChIKey is KXTLOALPQOKFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-10-4-8(12)11-5-7(6-11)3-9(13)14/h7,10H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid?
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid has a molecular weight of 200.24 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64605625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).