1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid

C10H18N2O3 — CID 115867436

IUPAC1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCN)C(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-7-3-5-12(9(13)2-4-11)8(6-7)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyBNEOEAOIZPJZJW-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.05
Rot. Bonds3

About 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid

1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 115867436) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
PubChem CID115867436
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CCN)C(C(=O)O)C1
InChIInChI=1S/C10H18N2O3/c1-7-3-5-12(9(13)2-4-11)8(6-7)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15)
InChIKeyBNEOEAOIZPJZJW-UHFFFAOYSA-N
XLogP0.05
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-hexanoyl-4-methylpiperidine-2-carboxylic acid
CID 114421742
1-(3-cyclopentylpropanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114421123
1-[2-[2-(aminomethyl)phenyl]acetyl]-4-methylpiperidine-2-carboxylic acid
CID 115867427
1-(3-aminopropylcarbamoyl)-4-methylpiperidine-2-carboxylic acid
CID 114425520
4-methyl-1-[3-(4-methylphenyl)propanoyl]piperidine-2-carboxylic acid
CID 114421761
1-[3-(4-hydroxyphenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 167778785
1-(3-aminopropanoyl)-4-[(2-methoxyacetyl)amino]piperidine-2-carboxylic acid
CID 5150877
1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]-4-methylpiperidine-2-carboxylic acid
CID 114425406
4-methyl-1-prop-2-enoxycarbonylpiperidine-2-carboxylic acid
CID 114421064
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
4-methyl-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 114421990
1-[3-(3-bromophenyl)propanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114421829

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid (CID 115867436) is 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(C(=O)CCN)C(C(=O)O)C1.
What is the InChIKey of 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is BNEOEAOIZPJZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7-3-5-12(9(13)2-4-11)8(6-7)10(14)15/h7-8H,2-6,11H2,1H3,(H,14,15).
What are the key properties of 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid?
1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 115867436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).