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

C9H18N2O2 — CID 169025052

IUPAC(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
SMILESCN[C@@H](CC1CCNCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-10-8(9(12)13)6-7-2-4-11-5-3-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyJIPSECZDPNZNSE-QMMMGPOBSA-N
MW186.25 g/mol
LogP0.05
Rot. Bonds4

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

(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid (PubChem CID 169025052) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
PubChem CID169025052
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
SMILESCN[C@@H](CC1CCNCC1)C(=O)O
InChIInChI=1S/C9H18N2O2/c1-10-8(9(12)13)6-7-2-4-11-5-3-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)/t8-/m0/s1
InChIKeyJIPSECZDPNZNSE-QMMMGPOBSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-2-[(2-piperidin-4-ylacetyl)amino]propanoic acid
CID 61157563
3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
2-methyl-4-piperidin-4-ylbutanoic acid;hydrochloride
CID 162322945
2-acetamido-3-(piperidin-4-ylmethoxy)propanoic acid
CID 83213226
(2S)-3-cyclohexyl-2-(iodoamino)propanoic acid
CID 142921806
(2S)-4-methyl-2-(3-piperidin-4-ylpropanoylamino)pentanoic acid
CID 62210939
3-hydroxy-2-(3-piperidin-4-ylpropanoylamino)propanoic acid
CID 55049718
(2S)-3-cyclopropyl-2-formamidopropanoic acid
CID 130520889
2-(azepan-4-ylmethyl)-3-hydroxypropanoic acid
CID 83819373
5-methoxy-5-oxo-2-[(2-piperidin-4-ylacetyl)amino]pentanoic acid
CID 82786150
(2S)-3-(3-hydroxyoxiran-2-yl)-2-(methylamino)propanoic acid
CID 174267692
(2R)-3-hydroxy-2-[(2-pyrrolidin-3-ylacetyl)amino]propanoic acid
CID 80750139

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid?
The IUPAC name of (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid (CID 169025052) is (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid.
What is the SMILES notation for (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid?
The canonical SMILES for (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid is CN[C@@H](CC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid?
The InChIKey is JIPSECZDPNZNSE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-10-8(9(12)13)6-7-2-4-11-5-3-7/h7-8,10-11H,2-6H2,1H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid?
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid has a molecular weight of 186.25 g/mol, XLogP of 0.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 169025052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).