4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

C13H19N3O3 — CID 82015110

IUPAC4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCc1ccc(NC(=O)NCC(C)CCC(=O)O)cn1
InChIInChI=1S/C13H19N3O3/c1-9(3-6-12(17)18)7-15-13(19)16-11-5-4-10(2)14-8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRPALPYVMSWIBKH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds6

About 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid

4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (PubChem CID 82015110) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
PubChem CID82015110
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
SMILESCc1ccc(NC(=O)NCC(C)CCC(=O)O)cn1
InChIInChI=1S/C13H19N3O3/c1-9(3-6-12(17)18)7-15-13(19)16-11-5-4-10(2)14-8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyRPALPYVMSWIBKH-UHFFFAOYSA-N
XLogP2.01
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
4-methyl-5-(thiophen-3-ylcarbamoylamino)pentanoic acid
CID 82014771
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
5-[(3-bromo-5-methoxyphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82860456
N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide
CID 144801403
5-[(2-bromophenyl)carbamoylamino]-4-methylpentanoic acid
CID 82688840
4-methyl-5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 82015095
(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107265688
3-[(6-methyl-3-pyridinyl)amino]butanoic acid
CID 170628757
5-(benzylcarbamoylamino)-4-methylpentanoic acid
CID 82689403
4-methyl-5-[1-(4-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 82014749
5-[(2-methoxy-5-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 82014553

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid (CID 82015110) is 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is Cc1ccc(NC(=O)NCC(C)CCC(=O)O)cn1.
What is the InChIKey of 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
The InChIKey is RPALPYVMSWIBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(3-6-12(17)18)7-15-13(19)16-11-5-4-10(2)14-8-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid?
4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 82015110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).