2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid

C14H20N2O2 — CID 107143104

IUPAC2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
SMILESCC(CNC1(CC(=O)O)CNC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)8-16-14(7-13(17)18)9-15-10-14/h2-6,11,15-16H,7-10H2,1H3,(H,17,18)
InChIKeyNRDQCAYVRDHJBE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds6

About 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid

2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid (PubChem CID 107143104) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
PubChem CID107143104
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
SMILESCC(CNC1(CC(=O)O)CNC1)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)8-16-14(7-13(17)18)9-15-10-14/h2-6,11,15-16H,7-10H2,1H3,(H,17,18)
InChIKeyNRDQCAYVRDHJBE-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[[(1R)-1-(3-chlorophenyl)ethyl]amino]azetidin-3-yl]acetic acid
CID 107142914
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384
[4-methyl-1-(2-phenylpropylamino)cyclohexyl]methanol
CID 62527967
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
CID 106115839
2-[4-(3-phenylbutanoylamino)oxan-4-yl]acetic acid
CID 119214884
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
2-[3-[(3-methylthiophen-2-yl)methylamino]azetidin-3-yl]acetic acid
CID 107142925
(3S,5R)-3,5-dimethyl-N-[(2R)-2-phenylpropyl]adamantan-1-amine
CID 41495399
(3S,5R)-3,5-dimethyl-N-[(2S)-2-phenylpropyl]adamantan-1-amine
CID 41495401
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid (CID 107143104) is 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid is CC(CNC1(CC(=O)O)CNC1)c1ccccc1.
What is the InChIKey of 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid?
The InChIKey is NRDQCAYVRDHJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11(12-5-3-2-4-6-12)8-16-14(7-13(17)18)9-15-10-14/h2-6,11,15-16H,7-10H2,1H3,(H,17,18).
What are the key properties of 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid?
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid has a molecular weight of 248.33 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).