2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid

C12H22N2O2 — CID 107142855

IUPAC2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
SMILESCC1(C)C(NC2(CC(=O)O)CNC2)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-10(2)9(11(10,3)4)14-12(5-8(15)16)6-13-7-12/h9,13-14H,5-7H2,1-4H3,(H,15,16)
InChIKeySYPYMZCRLSZVTL-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.83
Rot. Bonds4

About 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid

2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid (PubChem CID 107142855) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
PubChem CID107142855
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
SMILESCC1(C)C(NC2(CC(=O)O)CNC2)C1(C)C
InChIInChI=1S/C12H22N2O2/c1-10(2)9(11(10,3)4)14-12(5-8(15)16)6-13-7-12/h9,13-14H,5-7H2,1-4H3,(H,15,16)
InChIKeySYPYMZCRLSZVTL-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.83
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-[(2-methyloxolan-3-yl)amino]azetidin-3-yl]acetic acid
CID 107142991
2-[3-(oxan-4-ylamino)azetidin-3-yl]acetic acid
CID 107142370
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
CID 107853795
2-[3-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]azetidin-3-yl]acetic acid
CID 107142446
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265
2-[3-[(4-hydroxycyclohexyl)methylamino]azetidin-3-yl]acetic acid
CID 106137098
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid (CID 107142855) is 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid is CC1(C)C(NC2(CC(=O)O)CNC2)C1(C)C.
What is the InChIKey of 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid?
The InChIKey is SYPYMZCRLSZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)9(11(10,3)4)14-12(5-8(15)16)6-13-7-12/h9,13-14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid?
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid has a molecular weight of 226.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).