(2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide

C12H24N4O2 — CID 166144861

IUPAC(2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide
SMILESCC(C)[C@@H](C(N)=O)N(C)C(=O)N(C)C1CN(C)C1
InChIInChI=1S/C12H24N4O2/c1-8(2)10(11(13)17)16(5)12(18)15(4)9-6-14(3)7-9/h8-10H,6-7H2,1-5H3,(H2,13,17)/t10-/m0/s1
InChIKeyWJUFCYCPZQWVFR-JTQLQIEISA-N
MW256.35 g/mol
LogP-0.21
Rot. Bonds4

About (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide

(2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide (PubChem CID 166144861) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide.

Molecular Properties

Compound Name(2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide
PubChem CID166144861
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name(2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide
SMILESCC(C)[C@@H](C(N)=O)N(C)C(=O)N(C)C1CN(C)C1
InChIInChI=1S/C12H24N4O2/c1-8(2)10(11(13)17)16(5)12(18)15(4)9-6-14(3)7-9/h8-10H,6-7H2,1-5H3,(H2,13,17)/t10-/m0/s1
InChIKeyWJUFCYCPZQWVFR-JTQLQIEISA-N
XLogP-0.21
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide?
The IUPAC name of (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide (CID 166144861) is (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide.
What is the SMILES notation for (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide?
The canonical SMILES for (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide is CC(C)[C@@H](C(N)=O)N(C)C(=O)N(C)C1CN(C)C1.
What is the InChIKey of (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide?
The InChIKey is WJUFCYCPZQWVFR-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N4O2/c1-8(2)10(11(13)17)16(5)12(18)15(4)9-6-14(3)7-9/h8-10H,6-7H2,1-5H3,(H2,13,17)/t10-/m0/s1.
What are the key properties of (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide?
(2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide has a molecular weight of 256.35 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-[methyl-[methyl-(1-methylazetidin-3-yl)carbamoyl]amino]butanamide is sourced from PubChem (CID 166144861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).