(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid

C9H17NO2 — CID 124547717

IUPAC(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
SMILESC[C@H](C[C@@H]1CCCCN1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-7(9(11)12)6-8-4-2-3-5-10-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyVKKXWBSMRNMYOG-SFYZADRCSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds3

About (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid

(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid (PubChem CID 124547717) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
PubChem CID124547717
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid
SMILESC[C@H](C[C@@H]1CCCCN1)C(=O)O
InChIInChI=1S/C9H17NO2/c1-7(9(11)12)6-8-4-2-3-5-10-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1
InChIKeyVKKXWBSMRNMYOG-SFYZADRCSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
1-(azocan-2-yl)-3-methylbutan-2-one
CID 130491231
2-[piperidin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 106631912
3-methyl-2-(piperidin-2-ylmethylamino)butanoic acid
CID 106633804
1-piperidin-2-ylpropan-2-yl formate
CID 175103047
2-methyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoic acid
CID 62669553
2-methyl-3-morpholin-3-ylpropanoic acid;hydrochloride
CID 90043742
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propanoic acid
CID 79540937
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
(2R)-2-(3-piperidin-2-ylpropanoylamino)propanoic acid
CID 78986989
2-methyl-N-(3-methyl-1-piperidin-2-ylbutan-2-yl)propanamide
CID 163271220

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid?
The IUPAC name of (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid (CID 124547717) is (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid is C[C@H](C[C@@H]1CCCCN1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid?
The InChIKey is VKKXWBSMRNMYOG-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(9(11)12)6-8-4-2-3-5-10-8/h7-8,10H,2-6H2,1H3,(H,11,12)/t7-,8+/m1/s1.
What are the key properties of (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid?
(2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[(2S)-piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124547717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).