4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid

C14H21N3O3 — CID 82688959

IUPAC4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C14H21N3O3/c1-11(6-7-13(18)19)9-16-14(20)17(2)10-12-5-3-4-8-15-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLLUFHOQLDQPJJC-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.72
Rot. Bonds7

About 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid

4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid (PubChem CID 82688959) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
PubChem CID82688959
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C14H21N3O3/c1-11(6-7-13(18)19)9-16-14(20)17(2)10-12-5-3-4-8-15-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyLLUFHOQLDQPJJC-UHFFFAOYSA-N
XLogP1.72
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
5-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 82687731
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
1-methyl-3-(2-methyl-3-pyrrolidin-1-ylpropyl)-1-(pyridin-2-ylmethyl)urea
CID 86841958
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 78967862
2-ethyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 115430878
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82687737
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
5-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 82013804
5-methyl-6-pyridin-2-ylhexanoic acid
CID 58070898

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid (CID 82688959) is 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)N(C)Cc1ccccn1.
What is the InChIKey of 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is LLUFHOQLDQPJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-11(6-7-13(18)19)9-16-14(20)17(2)10-12-5-3-4-8-15-12/h3-5,8,11H,6-7,9-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid?
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 82688959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).