4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid

C14H27N3O3 — CID 82014411

IUPAC4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCC1CCCCN1C
InChIInChI=1S/C14H27N3O3/c1-11(6-7-13(18)19)9-15-14(20)16-10-12-5-3-4-8-17(12)2/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyOCZHLLNCEFVNQN-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds7

About 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid

4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 82014411) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
PubChem CID82014411
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCC1CCCCN1C
InChIInChI=1S/C14H27N3O3/c1-11(6-7-13(18)19)9-15-14(20)16-10-12-5-3-4-8-17(12)2/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyOCZHLLNCEFVNQN-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pentanoic acid
CID 106021011
3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]propanoic acid
CID 106021158
5-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 82014093
(2S)-4-hydroxy-2-[(1-methylpiperidin-2-yl)methylcarbamoylamino]butanoic acid
CID 114005552
5-(cyclohexylcarbamoylamino)-4-methylpentanoic acid
CID 82684243
2,2-dimethyl-3-[(1-methylpiperidin-2-yl)methylcarbamoylamino]propanoic acid
CID 113308220
4-methyl-5-(thiolan-3-ylmethylcarbamoylamino)pentanoic acid
CID 107297551
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
5-(cyclopropanecarbonylamino)-4-methylpentanoic acid
CID 82010371
1-[(1-benzylpiperidin-2-yl)methyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505393
(2R)-5-amino-2-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106021134

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid (CID 82014411) is 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid is CC(CCC(=O)O)CNC(=O)NCC1CCCCN1C.
What is the InChIKey of 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is OCZHLLNCEFVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(6-7-13(18)19)9-15-14(20)16-10-12-5-3-4-8-17(12)2/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid?
4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methylpiperidin-2-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 82014411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).