2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid

C14H18N2O3 — CID 81318427

IUPAC2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)CC1CNC1
InChIInChI=1S/C14H18N2O3/c17-13(5-10-7-15-8-10)16-9-12-4-2-1-3-11(12)6-14(18)19/h1-4,10,15H,5-9H2,(H,16,17)(H,18,19)
InChIKeySDADBDFHFATDCG-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.54
Rot. Bonds6

About 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid

2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid (PubChem CID 81318427) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
PubChem CID81318427
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)CC1CNC1
InChIInChI=1S/C14H18N2O3/c17-13(5-10-7-15-8-10)16-9-12-4-2-1-3-11(12)6-14(18)19/h1-4,10,15H,5-9H2,(H,16,17)(H,18,19)
InChIKeySDADBDFHFATDCG-UHFFFAOYSA-N
XLogP0.54
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566
2-[2-[[(2-cyclohexylacetyl)amino]methyl]phenyl]acetic acid
CID 81312083
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
2-(azetidin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 64616743
2-(azetidin-3-yl)-N-(2-phenylpropyl)acetamide
CID 64611219
2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
2-[2-[[[(3R)-piperidine-3-carbonyl]amino]methyl]phenyl]acetic acid
CID 81317773
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid (CID 81318427) is 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)CC1CNC1.
What is the InChIKey of 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid?
The InChIKey is SDADBDFHFATDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c17-13(5-10-7-15-8-10)16-9-12-4-2-1-3-11(12)6-14(18)19/h1-4,10,15H,5-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid?
2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81318427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).