2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide

C12H21N3O2 — CID 116678382

IUPAC2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
SMILESCC(C(=O)NCCC(=O)NC1CC1)C1CNC1
InChIInChI=1S/C12H21N3O2/c1-8(9-6-13-7-9)12(17)14-5-4-11(16)15-10-2-3-10/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRSDCWJKJTFTWEJ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.37
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide

2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide (PubChem CID 116678382) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
PubChem CID116678382
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
SMILESCC(C(=O)NCCC(=O)NC1CC1)C1CNC1
InChIInChI=1S/C12H21N3O2/c1-8(9-6-13-7-9)12(17)14-5-4-11(16)15-10-2-3-10/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRSDCWJKJTFTWEJ-UHFFFAOYSA-N
XLogP-0.37
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 116678902
2-(azetidin-3-yl)-N-(4-methylcyclohexyl)propanamide
CID 104963390
N-[3-(cyclopropylamino)-3-oxopropyl]-3-piperidin-3-ylbutanamide
CID 81044384
2-(azetidin-3-yl)-N-cyclopentylpropanamide
CID 116674243
N-[3-(cyclopropylamino)-3-oxopropyl]-2-(methylamino)propanamide
CID 79400764
N-cyclopropyl-3-[(2,2-difluoroacetyl)amino]propanamide
CID 103515809
N-cyclopropyl-2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394773
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
2-cyano-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide
CID 79401165
N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpyrrolidine-3-carboxamide
CID 79400917
2-(azetidin-3-yl)-N-(4-methylpentyl)propanamide
CID 116676839
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide (CID 116678382) is 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide is CC(C(=O)NCCC(=O)NC1CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
The InChIKey is RSDCWJKJTFTWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(9-6-13-7-9)12(17)14-5-4-11(16)15-10-2-3-10/h8-10,13H,2-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide?
2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[3-(cyclopropylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 116678382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).