5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid

C14H27N3O3 — CID 82013959

IUPAC5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-11(6-7-13(18)19)9-15-14(20)17-8-4-5-12(10-17)16(2)3/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFATBROOJQQAXHP-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.22
Rot. Bonds6

About 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid

5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 82013959) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
PubChem CID82013959
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C14H27N3O3/c1-11(6-7-13(18)19)9-15-14(20)17-8-4-5-12(10-17)16(2)3/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyFATBROOJQQAXHP-UHFFFAOYSA-N
XLogP1.22
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 82682847
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716
4-methyl-5-[(4-propan-2-ylazepane-1-carbonyl)amino]pentanoic acid
CID 82014265
4-methyl-5-[(3-propoxypiperidine-1-carbonyl)amino]pentanoic acid
CID 82014865
5-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 106670569
4-methyl-5-[(3-propan-2-ylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 113418247
(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
CID 95967512
4-methyl-5-[(4-methyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 82688949
5-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013036
5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-4-methylpentanoic acid
CID 82014108
5-[(4-tert-butylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 82013484
4-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]pentanoic acid
CID 106315845

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid (CID 82013959) is 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is FATBROOJQQAXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-11(6-7-13(18)19)9-15-14(20)17-8-4-5-12(10-17)16(2)3/h11-12H,4-10H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid?
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82013959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).