2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid

C14H21N3O3 — CID 62308244

IUPAC2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCc1cccc(C)n1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-4-8-12(13(18)19)17-14(20)15-9-11-7-5-6-10(2)16-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyFWGLOXMYJOZLKO-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.83
Rot. Bonds7

About 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid

2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid (PubChem CID 62308244) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid
PubChem CID62308244
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid
SMILESCCCCC(NC(=O)NCc1cccc(C)n1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-3-4-8-12(13(18)19)17-14(20)15-9-11-7-5-6-10(2)16-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,18,19)(H2,15,17,20)
InChIKeyFWGLOXMYJOZLKO-UHFFFAOYSA-N
XLogP1.83
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55057146
(2S)-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
(2R)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107827478
(2S)-4-amino-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719224
(2S)-4-methoxy-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63304824
(2S,3S)-3-methyl-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 62306858
2-[(2-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 61413925
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-2-[(4-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 107145439
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
(2S)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106038811
2-[(2,6-difluorophenyl)carbamoylamino]hexanoic acid
CID 61194249

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid (CID 62308244) is 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid is CCCCC(NC(=O)NCc1cccc(C)n1)C(=O)O.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid?
The InChIKey is FWGLOXMYJOZLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-4-8-12(13(18)19)17-14(20)15-9-11-7-5-6-10(2)16-11/h5-7,12H,3-4,8-9H2,1-2H3,(H,18,19)(H2,15,17,20).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid?
2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 62308244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).