2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid

C11H20N2O3 — CID 64616093

IUPAC2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid
SMILESCC(C)NC(=O)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(14)3-4-13-6-9(7-13)5-11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyYENKFVIJMZIEMT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds6

About 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid

2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid (PubChem CID 64616093) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid
PubChem CID64616093
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid
SMILESCC(C)NC(=O)CCN1CC(CC(=O)O)C1
InChIInChI=1S/C11H20N2O3/c1-8(2)12-10(14)3-4-13-6-9(7-13)5-11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyYENKFVIJMZIEMT-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[3-(carbamoylamino)-3-oxopropyl]azetidin-3-yl]acetic acid
CID 64616484
3-[1-[3-oxo-3-(propan-2-ylamino)propyl]piperidin-4-yl]propanoic acid
CID 62627528
2-(1-ethylazetidin-3-yl)-N-propan-2-ylacetamide
CID 135224952
2-[1-(3,3-dimethylbutyl)azetidin-3-yl]acetic acid
CID 64618314
3-[3-[3-oxo-3-(propan-2-ylamino)propyl]sulfanylpiperidin-1-yl]propanoic acid
CID 84755207
3-(3-ethyl-4-hydroxypiperidin-1-yl)-N-propan-2-ylpropanamide
CID 114511182
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 95338932
4-methyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-4-carboxylic acid
CID 55176993
3-[3-methyl-4-(methylamino)piperidin-1-yl]-N-propan-2-ylpropanamide
CID 114499150
3-[3-(3-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215755
N-[2-(3-methylbutylamino)ethyl]-3-[4-[3-oxo-3-(propan-2-ylamino)propyl]piperazin-1-yl]propanamide
CID 167209873

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid (CID 64616093) is 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid is CC(C)NC(=O)CCN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid?
The InChIKey is YENKFVIJMZIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(2)12-10(14)3-4-13-6-9(7-13)5-11(15)16/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid?
2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-oxo-3-(propan-2-ylamino)propyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).