2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid

C13H25N3O3 — CID 113308752

IUPAC2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)N1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2,11(17)18)9-15-12(19)16-7-5-10(14)6-8-16/h10H,3-9,14H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySWXQHAIQGHJZDH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.01
Rot. Bonds5

About 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid

2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 113308752) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID113308752
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CNC(=O)N1CCC(N)CC1)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-3-13(4-2,11(17)18)9-15-12(19)16-7-5-10(14)6-8-16/h10H,3-9,14H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySWXQHAIQGHJZDH-UHFFFAOYSA-N
XLogP1.01
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 115431112
2-[[[2-(4-aminopiperidin-1-yl)acetyl]amino]methyl]-2-ethylbutanoic acid
CID 115430439
2-[[[3-(carbamoylamino)pyrrolidine-1-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 122126682
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
2-ethyl-2-[[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]butanoic acid
CID 115430777
2-ethyl-2-[[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]methyl]butanoic acid
CID 114412000
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
2-[[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]-2-methylbutanoic acid
CID 106836780
6-[(4-aminopiperidine-1-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65289949
2-ethyl-2-[[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 107393953
2,2-diethyl-4-(4-hydroxypiperidin-1-yl)-4-oxobutanoic acid
CID 43437398
2-[[(2-cycloheptylacetyl)amino]methyl]-2-ethylbutanoic acid
CID 115910343

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid (CID 113308752) is 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CNC(=O)N1CCC(N)CC1)C(=O)O.
What is the InChIKey of 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is SWXQHAIQGHJZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-3-13(4-2,11(17)18)9-15-12(19)16-7-5-10(14)6-8-16/h10H,3-9,14H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid?
2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-aminopiperidine-1-carbonyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 113308752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).