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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Related Compounds

N-carbamoyl-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301604
2-[azetidin-3-yl(methyl)amino]propanamide
CID 66188290
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 61231473
2-[azetidin-3-yl(methyl)amino]-N-cyclopentylpropanamide
CID 66188303
2-[azetidin-3-yl(methyl)amino]-N-pentan-2-ylpropanamide
CID 66184816
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
N-(methylcarbamoyl)-2-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63301559
N-methyl-2-[methyl(piperidin-3-yl)amino]propanamide
CID 63643925
N-ethyl-2-[methyl(piperidin-4-yl)amino]propanamide
CID 43607766
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219248
(2R)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219249

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).