2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide

C8H16N4O2 — CID 66188069

IUPAC2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(C)C1CNC1
InChIInChI=1S/C8H16N4O2/c1-5(7(13)11-8(9)14)12(2)6-3-10-4-6/h5-6,10H,3-4H2,1-2H3,(H3,9,11,13,14)
InChIKeyIESKLZVNXOPXFO-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.53
Rot. Bonds3

About 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide

2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide (PubChem CID 66188069) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
PubChem CID66188069
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide
SMILESCC(C(=O)NC(N)=O)N(C)C1CNC1
InChIInChI=1S/C8H16N4O2/c1-5(7(13)11-8(9)14)12(2)6-3-10-4-6/h5-6,10H,3-4H2,1-2H3,(H3,9,11,13,14)
InChIKeyIESKLZVNXOPXFO-UHFFFAOYSA-N
XLogP-1.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide?
The IUPAC name of 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide (CID 66188069) is 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide.
What is the SMILES notation for 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide?
The canonical SMILES for 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide is CC(C(=O)NC(N)=O)N(C)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide?
The InChIKey is IESKLZVNXOPXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-5(7(13)11-8(9)14)12(2)6-3-10-4-6/h5-6,10H,3-4H2,1-2H3,(H3,9,11,13,14).
What are the key properties of 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide?
2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide has a molecular weight of 200.24 g/mol, XLogP of -1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(methyl)amino]-N-carbamoylpropanamide is sourced from PubChem (CID 66188069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).