2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid

C10H19N3O3 — CID 107143026

IUPAC2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
SMILESCCNC(=O)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C10H19N3O3/c1-2-12-8(14)3-4-13-10(5-9(15)16)6-11-7-10/h11,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyGFICIKYVDNUGQL-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.08
Rot. Bonds7

About 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid

2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid (PubChem CID 107143026) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
PubChem CID107143026
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
SMILESCCNC(=O)CCNC1(CC(=O)O)CNC1
InChIInChI=1S/C10H19N3O3/c1-2-12-8(14)3-4-13-10(5-9(15)16)6-11-7-10/h11,13H,2-7H2,1H3,(H,12,14)(H,15,16)
InChIKeyGFICIKYVDNUGQL-UHFFFAOYSA-N
XLogP-1.08
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[3-oxo-3-(propylamino)propyl]amino]azetidin-3-yl]acetic acid
CID 107142554
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-[3-(2-ethylsulfinylethylamino)azetidin-3-yl]acetic acid
CID 107143147
2-[3-(4-methoxybutylamino)azetidin-3-yl]acetic acid
CID 107142488
2-[3-(hex-5-ynylamino)azetidin-3-yl]acetic acid
CID 106215248
2-[3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]azetidin-3-yl]acetic acid
CID 107143228
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-[2-(2-hydroxyethyl)pentylamino]azetidin-3-yl]acetic acid
CID 106115839
2-[3-(2-ethylhexylamino)azetidin-3-yl]acetic acid
CID 107816746
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid (CID 107143026) is 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid is CCNC(=O)CCNC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid?
The InChIKey is GFICIKYVDNUGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-2-12-8(14)3-4-13-10(5-9(15)16)6-11-7-10/h11,13H,2-7H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid?
2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-(ethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107143026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).