2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid

C14H18N2O2 — CID 107853795

IUPAC2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NC2Cc3ccccc3C2)CNC1
InChIInChI=1S/C14H18N2O2/c17-13(18)7-14(8-15-9-14)16-12-5-10-3-1-2-4-11(10)6-12/h1-4,12,15-16H,5-9H2,(H,17,18)
InChIKeySXKVLLCYNRAFHL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.56
Rot. Bonds4

About 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid

2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107853795) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
PubChem CID107853795
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NC2Cc3ccccc3C2)CNC1
InChIInChI=1S/C14H18N2O2/c17-13(18)7-14(8-15-9-14)16-12-5-10-3-1-2-4-11(10)6-12/h1-4,12,15-16H,5-9H2,(H,17,18)
InChIKeySXKVLLCYNRAFHL-UHFFFAOYSA-N
XLogP0.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652
2-[3-(thian-4-ylamino)azetidin-3-yl]acetic acid
CID 107143163
2-[3-(oxan-4-ylamino)azetidin-3-yl]acetic acid
CID 107142370
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-[(4-bromonaphthalen-1-yl)amino]azetidin-3-yl]acetic acid
CID 107143038
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104
2-[3-[(4-bromophenyl)methylamino]azetidin-3-yl]acetic acid
CID 107142225
2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid
CID 107142821
2-[3-[[2-(trifluoromethyl)phenyl]methylamino]azetidin-3-yl]acetic acid
CID 107142631
2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142528
2-[3-[(2-methyloxolan-3-yl)amino]azetidin-3-yl]acetic acid
CID 107142991
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid (CID 107853795) is 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(NC2Cc3ccccc3C2)CNC1.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is SXKVLLCYNRAFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-13(18)7-14(8-15-9-14)16-12-5-10-3-1-2-4-11(10)6-12/h1-4,12,15-16H,5-9H2,(H,17,18).
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid?
2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 246.31 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107853795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).