2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid

C16H30N2O3 — CID 115431112

IUPAC2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCCC1CCN(C(=O)NCC(CC)(CC)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-7-13-8-10-18(11-9-13)15(21)17-12-16(5-2,6-3)14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBTCVJESDVIIABF-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds7

About 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid (PubChem CID 115431112) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
PubChem CID115431112
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid
SMILESCCCC1CCN(C(=O)NCC(CC)(CC)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-4-7-13-8-10-18(11-9-13)15(21)17-12-16(5-2,6-3)14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyBTCVJESDVIIABF-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
(2S)-2-[(6-azaspiro[2.5]octane-6-carbonylamino)methyl]-4,4-difluoropentanoic acid
CID 150587724
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
3-Ethyl-1-(2,2,2-trifluoroethylcarbamoyl)piperidine-3-carboxylic acid
CID 63136169
2-[[[4-(Trifluoromethyl)piperidine-1-carbonyl]amino]methyl]butanoic acid
CID 65530400
2-[[[3-(Trifluoromethyl)piperidine-1-carbonyl]amino]methyl]butanoic acid
CID 65536790
2-Methyl-2-[[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]butanoic acid
CID 81948961
2-Methyl-2-[[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]methyl]butanoic acid
CID 81948962
2,2-Dimethyl-3-[[3-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 115428901
2,2-Dimethyl-3-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 115428902
3-{[(3,5-Dimethylpiperidino)carbonyl]amino}propanoic acid
CID 43912840

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid (CID 115431112) is 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid is CCCC1CCN(C(=O)NCC(CC)(CC)C(=O)O)CC1.
What is the InChIKey of 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
The InChIKey is BTCVJESDVIIABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-7-13-8-10-18(11-9-13)15(21)17-12-16(5-2,6-3)14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(4-propylpiperidine-1-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 115431112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).