4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide

C16H29N3O2 — CID 89107129

IUPAC4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide
SMILESC=C(C)C(=O)N1CCC[C@@H]1CN(C)C(CC(C)C)C(N)=O
InChIInChI=1S/C16H29N3O2/c1-11(2)9-14(15(17)20)18(5)10-13-7-6-8-19(13)16(21)12(3)4/h11,13-14H,3,6-10H2,1-2,4-5H3,(H2,17,20)/t13-,14?/m1/s1
InChIKeyJTGBDNGLLMOMOX-KWCCSABGSA-N
MW295.43 g/mol
LogP1.39
Rot. Bonds7

About 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide

4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide (PubChem CID 89107129) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide.

Molecular Properties

Compound Name4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide
PubChem CID89107129
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide
SMILESC=C(C)C(=O)N1CCC[C@@H]1CN(C)C(CC(C)C)C(N)=O
InChIInChI=1S/C16H29N3O2/c1-11(2)9-14(15(17)20)18(5)10-13-7-6-8-19(13)16(21)12(3)4/h11,13-14H,3,6-10H2,1-2,4-5H3,(H2,17,20)/t13-,14?/m1/s1
InChIKeyJTGBDNGLLMOMOX-KWCCSABGSA-N
XLogP1.39
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 82503098
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 14282319
benzyl (2R)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 46217033
benzyl 2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 58649444
2-amino-3-methyl-1-[2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 77144333
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-oxoacetic acid
CID 62888059
2-chloro-1-[(2S)-2-[[methyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 66567928
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide?
The IUPAC name of 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide (CID 89107129) is 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide.
What is the SMILES notation for 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide?
The canonical SMILES for 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide is C=C(C)C(=O)N1CCC[C@@H]1CN(C)C(CC(C)C)C(N)=O.
What is the InChIKey of 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide?
The InChIKey is JTGBDNGLLMOMOX-KWCCSABGSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(2)9-14(15(17)20)18(5)10-13-7-6-8-19(13)16(21)12(3)4/h11,13-14H,3,6-10H2,1-2,4-5H3,(H2,17,20)/t13-,14?/m1/s1.
What are the key properties of 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide?
4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide has a molecular weight of 295.43 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[methyl-[[(2R)-1-(2-methylprop-2-enoyl)pyrrolidin-2-yl]methyl]amino]pentanamide is sourced from PubChem (CID 89107129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).