(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid

C10H19NO2 — CID 139957952

IUPAC(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
SMILESCC(C)C[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7(2)5-8-3-4-11-9(6-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyUXSHJWCSFIKOKQ-RKDXNWHRSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds3

About (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid

(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid (PubChem CID 139957952) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
PubChem CID139957952
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid
SMILESCC(C)C[C@H]1CCN[C@@H](C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7(2)5-8-3-4-11-9(6-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyUXSHJWCSFIKOKQ-RKDXNWHRSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-methylbutyl)piperidine-2-carboxylic acid
CID 82397672
(2S,4R)-4-(sulfanylmethyl)piperidine-2-carboxylic acid
CID 137455013
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
4-prop-2-enylpiperidine-2-carboxylic acid
CID 70583739
(2S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
CID 135373119
(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2R,4S)-4-[(E)-3-phosphonoprop-2-enyl]piperidine-2-carboxylic acid
CID 14541469
(2S,4R)-4-(3-phosphonopropyl)piperidine-2-carboxylic acid
CID 21126371
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl]piperidine-2-carboxylic acid
CID 175868940
5-(cyclopropylmethyl)azepane-2-carboxylic acid
CID 18446400
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2R,4S)-4-(dimethylamino)piperidine-2-carboxylic acid
CID 178194781

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid (CID 139957952) is (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid is CC(C)C[C@H]1CCN[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid?
The InChIKey is UXSHJWCSFIKOKQ-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)5-8-3-4-11-9(6-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid?
(2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-(2-methylpropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 139957952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).