3-(methylamino)-2-piperidin-4-ylpropanoic acid

C9H18N2O2 — CID 117239541

IUPAC3-(methylamino)-2-piperidin-4-ylpropanoic acid
SMILESCNCC(C(=O)O)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-10-6-8(9(12)13)7-2-4-11-5-3-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyNFZPJQSQRCKOEV-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.09
Rot. Bonds4

About 3-(methylamino)-2-piperidin-4-ylpropanoic acid

3-(methylamino)-2-piperidin-4-ylpropanoic acid (PubChem CID 117239541) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-(methylamino)-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(methylamino)-2-piperidin-4-ylpropanoic acid
PubChem CID117239541
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-(methylamino)-2-piperidin-4-ylpropanoic acid
SMILESCNCC(C(=O)O)C1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-10-6-8(9(12)13)7-2-4-11-5-3-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)
InChIKeyNFZPJQSQRCKOEV-UHFFFAOYSA-N
XLogP-0.09
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-piperidin-4-ylpropan-1-amine
CID 84650476
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
methyl 2-cyclopropyl-3-(methylamino)propanoate
CID 117245476
3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid
CID 70072235
3-(azepan-1-yl)-2-piperidin-4-ylpropanoic acid
CID 117239592
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
3,3-dimethyl-2-piperidin-4-ylpentanoic acid
CID 123184489
acetic acid;(1R)-1-piperidin-4-ylethanol
CID 66673151

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-(methylamino)-2-piperidin-4-ylpropanoic acid (CID 117239541) is 3-(methylamino)-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-(methylamino)-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-(methylamino)-2-piperidin-4-ylpropanoic acid is CNCC(C(=O)O)C1CCNCC1.
What is the InChIKey of 3-(methylamino)-2-piperidin-4-ylpropanoic acid?
The InChIKey is NFZPJQSQRCKOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-6-8(9(12)13)7-2-4-11-5-3-7/h7-8,10-11H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-(methylamino)-2-piperidin-4-ylpropanoic acid?
3-(methylamino)-2-piperidin-4-ylpropanoic acid has a molecular weight of 186.25 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 117239541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).