N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide

C12H22N2O2 — CID 118532169

IUPACN-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide
SMILESC=C([C@H](C)NC(C)=O)N(C)[C@H](C)CC(C)=O
InChIInChI=1S/C12H22N2O2/c1-8(7-9(2)15)14(6)11(4)10(3)13-12(5)16/h8,10H,4,7H2,1-3,5-6H3,(H,13,16)/t8-,10+/m1/s1
InChIKeyALCXJDCMFVXQOG-SCZZXKLOSA-N
MW226.32 g/mol
LogP1.32
Rot. Bonds6

About N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide

N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide (PubChem CID 118532169) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide
PubChem CID118532169
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide
SMILESC=C([C@H](C)NC(C)=O)N(C)[C@H](C)CC(C)=O
InChIInChI=1S/C12H22N2O2/c1-8(7-9(2)15)14(6)11(4)10(3)13-12(5)16/h8,10H,4,7H2,1-3,5-6H3,(H,13,16)/t8-,10+/m1/s1
InChIKeyALCXJDCMFVXQOG-SCZZXKLOSA-N
XLogP1.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide (CID 118532169) is N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide is C=C([C@H](C)NC(C)=O)N(C)[C@H](C)CC(C)=O.
What is the InChIKey of N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide?
The InChIKey is ALCXJDCMFVXQOG-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-8(7-9(2)15)14(6)11(4)10(3)13-12(5)16/h8,10H,4,7H2,1-3,5-6H3,(H,13,16)/t8-,10+/m1/s1.
What are the key properties of N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide?
N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide has a molecular weight of 226.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-[methyl-[(2R)-4-oxopentan-2-yl]amino]but-3-en-2-yl]acetamide is sourced from PubChem (CID 118532169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).