3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 103156961

IUPAC3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)C1(C)CCCCN1)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(5-3-4-6-14-12)11(17)13-8-9(18-2)7-10(15)16/h9,14H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyIOPVKABQSQEHRJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.12
Rot. Bonds6

About 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid

3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid (PubChem CID 103156961) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
PubChem CID103156961
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
SMILESCOC(CNC(=O)C1(C)CCCCN1)CC(=O)O
InChIInChI=1S/C12H22N2O4/c1-12(5-3-4-6-14-12)11(17)13-8-9(18-2)7-10(15)16/h9,14H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyIOPVKABQSQEHRJ-UHFFFAOYSA-N
XLogP0.12
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
3-methoxy-4-[[1-(2-methylpropyl)cyclopentanecarbonyl]amino]butanoic acid
CID 103152651
4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid
CID 103157255
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpiperidine-2-carboxamide
CID 106161126
(2S)-3-hydroxy-2-[(2-methylpiperidine-2-carbonyl)amino]propanoic acid
CID 104596612
(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid (CID 103156961) is 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid is COC(CNC(=O)C1(C)CCCCN1)CC(=O)O.
What is the InChIKey of 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
The InChIKey is IOPVKABQSQEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(5-3-4-6-14-12)11(17)13-8-9(18-2)7-10(15)16/h9,14H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid?
3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103156961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).