2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid

C15H19NO2 — CID 79978496

IUPAC2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2cccc(C3CC3)c2)C1
InChIInChI=1S/C15H19NO2/c17-15(18)7-12-9-16(10-12)8-11-2-1-3-14(6-11)13-4-5-13/h1-3,6,12-13H,4-5,7-10H2,(H,17,18)
InChIKeyVWZXIMUMYJFCPZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.47
Rot. Bonds5

About 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid

2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid (PubChem CID 79978496) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
PubChem CID79978496
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(Cc2cccc(C3CC3)c2)C1
InChIInChI=1S/C15H19NO2/c17-15(18)7-12-9-16(10-12)8-11-2-1-3-14(6-11)13-4-5-13/h1-3,6,12-13H,4-5,7-10H2,(H,17,18)
InChIKeyVWZXIMUMYJFCPZ-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3,4-dichlorophenyl)methyl]azetidin-3-yl]acetic acid
CID 64617121
(3S,5R)-1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 156693653
1-[(3-cyclopropylphenyl)methyl]-3,5-dimethylpiperazine
CID 79983915
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
2-[1-[(3,4-dimethoxyphenyl)methyl]azetidin-3-yl]acetic acid
CID 64615889
1-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]piperazine
CID 79970782
2-(1-benzylazetidin-3-yl)acetamide
CID 67172961
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
[3-[(3-phenylazetidin-1-yl)methyl]phenyl]methanol
CID 104549638
2-[1-[(4-methylsulfanylphenyl)methyl]azetidin-3-yl]acetic acid
CID 64618526
4-[[(3-cyclopropylphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79971547
3-(3-cyclopentylphenyl)propanoic acid
CID 83836630

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid (CID 79978496) is 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(Cc2cccc(C3CC3)c2)C1.
What is the InChIKey of 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is VWZXIMUMYJFCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-15(18)7-12-9-16(10-12)8-11-2-1-3-14(6-11)13-4-5-13/h1-3,6,12-13H,4-5,7-10H2,(H,17,18).
What are the key properties of 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 245.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 79978496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).