4-acetamido-3-methylpiperidine-4-carboxylic acid

C9H16N2O3 — CID 114500616

IUPAC4-acetamido-3-methylpiperidine-4-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCNCC1C
InChIInChI=1S/C9H16N2O3/c1-6-5-10-4-3-9(6,8(13)14)11-7(2)12/h6,10H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyCNMKUBKKOMPAMU-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.42
Rot. Bonds2

About 4-acetamido-3-methylpiperidine-4-carboxylic acid

4-acetamido-3-methylpiperidine-4-carboxylic acid (PubChem CID 114500616) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-acetamido-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-acetamido-3-methylpiperidine-4-carboxylic acid
PubChem CID114500616
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name4-acetamido-3-methylpiperidine-4-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCNCC1C
InChIInChI=1S/C9H16N2O3/c1-6-5-10-4-3-9(6,8(13)14)11-7(2)12/h6,10H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyCNMKUBKKOMPAMU-UHFFFAOYSA-N
XLogP-0.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetamido-2-methylcyclohexane-1-carboxylic acid
CID 61292640
3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 114500554
4-(ethylamino)-3-methylpiperidine-4-carboxamide
CID 114499589
N-[(2R)-1-acetyl-2-methylcyclopropyl]acetamide
CID 143744019
ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114500523
4-[acetyl(propan-2-yl)amino]-3-methylpiperidine-4-carboxylic acid
CID 114500621
4-[2-(diethylamino)ethylamino]-3-methylpiperidine-4-carboxamide
CID 114499582
methyl 3-methyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114500540
(3R)-3,4-dimethylpiperidin-4-ol
CID 153404832
4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
CID 114499616
1-(cyclohexanecarbonylamino)-2-methylcyclohexane-1-carboxylic acid
CID 61293575
1-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61295047

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 4-acetamido-3-methylpiperidine-4-carboxylic acid (CID 114500616) is 4-acetamido-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-acetamido-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-acetamido-3-methylpiperidine-4-carboxylic acid is CC(=O)NC1(C(=O)O)CCNCC1C.
What is the InChIKey of 4-acetamido-3-methylpiperidine-4-carboxylic acid?
The InChIKey is CNMKUBKKOMPAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-5-10-4-3-9(6,8(13)14)11-7(2)12/h6,10H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-acetamido-3-methylpiperidine-4-carboxylic acid?
4-acetamido-3-methylpiperidine-4-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 114500616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).