4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid

C12H22N2O3 — CID 114500621

IUPAC4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid
SMILESCC(=O)N(C(C)C)C1(C(=O)O)CCNCC1C
InChIInChI=1S/C12H22N2O3/c1-8(2)14(10(4)15)12(11(16)17)5-6-13-7-9(12)3/h8-9,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyFMUNZGDUSOMYQJ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds3

About 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid

4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid (PubChem CID 114500621) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid
PubChem CID114500621
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid
SMILESCC(=O)N(C(C)C)C1(C(=O)O)CCNCC1C
InChIInChI=1S/C12H22N2O3/c1-8(2)14(10(4)15)12(11(16)17)5-6-13-7-9(12)3/h8-9,13H,5-7H2,1-4H3,(H,16,17)
InChIKeyFMUNZGDUSOMYQJ-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[acetyl(propan-2-yl)amino]-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 63703779
4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylpiperidine-4-carboxylic acid
CID 114500631
4-acetamido-3-methylpiperidine-4-carboxylic acid
CID 114500616
1-[acetyl(propan-2-yl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822740
5-methyl-9-propan-2-yl-3-azaspiro[5.5]undecane
CID 79321561
4-[9H-fluoren-9-ylmethoxycarbonyl(propyl)amino]-3-methylpiperidine-4-carboxylic acid
CID 104930736
N,N,11-trimethyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 83265788
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
CID 114502129
4-ethynyl-3-methylpiperidin-4-ol
CID 114501937
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
CID 114502131
7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
CID 121207590

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid (CID 114500621) is 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid is CC(=O)N(C(C)C)C1(C(=O)O)CCNCC1C.
What is the InChIKey of 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid?
The InChIKey is FMUNZGDUSOMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-8(2)14(10(4)15)12(11(16)17)5-6-13-7-9(12)3/h8-9,13H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid?
4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114500621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).