2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide

C11H21N3O2 — CID 106344911

IUPAC2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(C)C1CNC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-6(2)9(10(12)15)14-11(16)7(3)8-4-13-5-8/h6-9,13H,4-5H2,1-3H3,(H2,12,15)(H,14,16)
InChIKeyCNKODODZTNHNSO-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.53
Rot. Bonds5

About 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide

2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide (PubChem CID 106344911) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide
PubChem CID106344911
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide
SMILESCC(C)C(NC(=O)C(C)C1CNC1)C(N)=O
InChIInChI=1S/C11H21N3O2/c1-6(2)9(10(12)15)14-11(16)7(3)8-4-13-5-8/h6-9,13H,4-5H2,1-3H3,(H2,12,15)(H,14,16)
InChIKeyCNKODODZTNHNSO-UHFFFAOYSA-N
XLogP-0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
Cyclo-L-Val-L-Val
CID 637596
US8722896, N-[(2S)-2-Aminopropanoyl]-(2S)-valylamide
CID 58080388
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
L-alanyl-L-valinamide
CID 7019981
(2S)-2-amino-3-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 10537384
Valylvaline anhydride
CID 519728
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-methylpentanamide
CID 10728135
(2S)-aminobutyryl-(2S)-azetidine carboxamide
CID 11492061
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]azetidine-2-carboxamide
CID 73352940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide?
The IUPAC name of 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide (CID 106344911) is 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide.
What is the SMILES notation for 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide?
The canonical SMILES for 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide is CC(C)C(NC(=O)C(C)C1CNC1)C(N)=O.
What is the InChIKey of 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide?
The InChIKey is CNKODODZTNHNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-6(2)9(10(12)15)14-11(16)7(3)8-4-13-5-8/h6-9,13H,4-5H2,1-3H3,(H2,12,15)(H,14,16).
What are the key properties of 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide?
2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide has a molecular weight of 227.31 g/mol, XLogP of -0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-3-yl)propanoylamino]-3-methylbutanamide is sourced from PubChem (CID 106344911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).