2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid

C14H24N2O3 — CID 64616897

IUPAC2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(15-12-5-3-1-2-4-6-12)10-16-8-11(9-16)7-14(18)19/h11-12H,1-10H2,(H,15,17)(H,18,19)
InChIKeyRUZLBDJKNMXPMA-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.23
Rot. Bonds5

About 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid

2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid (PubChem CID 64616897) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
PubChem CID64616897
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(CC(=O)NC2CCCCCC2)C1
InChIInChI=1S/C14H24N2O3/c17-13(15-12-5-3-1-2-4-6-12)10-16-8-11(9-16)7-14(18)19/h11-12H,1-10H2,(H,15,17)(H,18,19)
InChIKeyRUZLBDJKNMXPMA-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminoazetidin-1-yl)-N-cycloheptylacetamide
CID 63760720
N-cyclopentyl-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63090926
N-cyclooctyl-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 2446989
1-[2-(cyclooctylamino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904852
N-cycloheptyl-2-(3,5-dimethylpiperazin-1-yl)acetamide;hydrochloride
CID 119924112
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-cyclopentylacetamide
CID 60916989
N-cyclohexyl-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60968203
1-[2-(cyclooctylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119908022
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
2-[3-(aminomethyl)piperidin-1-yl]-N-cyclopentylacetamide;hydrochloride
CID 119915633
2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690284

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid (CID 64616897) is 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(CC(=O)NC2CCCCCC2)C1.
What is the InChIKey of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
The InChIKey is RUZLBDJKNMXPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c17-13(15-12-5-3-1-2-4-6-12)10-16-8-11(9-16)7-14(18)19/h11-12H,1-10H2,(H,15,17)(H,18,19).
What are the key properties of 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid?
2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).