2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid

C12H23N3O3 — CID 65223287

IUPAC2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCCC(N)C1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-4-9(11(16)17)7-14-12(18)15-6-3-5-10(13)8-15/h9-10H,2-8,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyLKNDTULXWMEFQG-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.62
Rot. Bonds5

About 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid

2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65223287) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
PubChem CID65223287
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N1CCCC(N)C1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-4-9(11(16)17)7-14-12(18)15-6-3-5-10(13)8-15/h9-10H,2-8,13H2,1H3,(H,14,18)(H,16,17)
InChIKeyLKNDTULXWMEFQG-UHFFFAOYSA-N
XLogP0.62
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 107228296
2-[(azepane-1-carbonylamino)methyl]pentanoic acid
CID 65217882
2-[[[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]methyl]pentanoic acid
CID 114798779
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
2-[(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonylamino)methyl]pentanoic acid
CID 65223617
3-amino-N-propylpiperidine-1-carboxamide
CID 61295715
2-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]pentanoic acid
CID 65220702
2-[[(2-methylmorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 65218037
2-[[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]methyl]pentanoic acid
CID 65226566
2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 122126635
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
2-[[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]methyl]pentanoic acid
CID 81204870

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid (CID 65223287) is 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)N1CCCC(N)C1)C(=O)O.
What is the InChIKey of 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is LKNDTULXWMEFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-4-9(11(16)17)7-14-12(18)15-6-3-5-10(13)8-15/h9-10H,2-8,13H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid?
2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-aminopiperidine-1-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65223287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).