(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid

C10H17NO4 — CID 50919304

IUPAC(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
SMILESCCC(C(=O)O)[C@@H]1CCC[C@@H](C(=O)O)N1
InChIInChI=1S/C10H17NO4/c1-2-6(9(12)13)7-4-3-5-8(11-7)10(14)15/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)/t6?,7-,8-/m0/s1
InChIKeyCDIBEFMVYFBAPK-ALKRTJFJSA-N
MW215.25 g/mol
LogP0.69
Rot. Bonds4

About (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid

(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid (PubChem CID 50919304) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
PubChem CID50919304
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
SMILESCCC(C(=O)O)[C@@H]1CCC[C@@H](C(=O)O)N1
InChIInChI=1S/C10H17NO4/c1-2-6(9(12)13)7-4-3-5-8(11-7)10(14)15/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)/t6?,7-,8-/m0/s1
InChIKeyCDIBEFMVYFBAPK-ALKRTJFJSA-N
XLogP0.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
(2S,5S)-5-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 101341979
2-cycloheptylbutanoic acid
CID 79007061
5-(3-methylbutan-2-yl)pyrrolidine-2-carboxylic acid
CID 130705030
CID 173256646
CID 173256646
6-octylpiperidine-2-carboxylic acid
CID 112574283
6-but-2-ynylpiperidine-2-carboxylic acid
CID 112574506
5-(1-methoxypropan-2-yl)pyrrolidine-2-carboxylic acid
CID 112575064
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 65224542

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid (CID 50919304) is (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid is CCC(C(=O)O)[C@@H]1CCC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid?
The InChIKey is CDIBEFMVYFBAPK-ALKRTJFJSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-6(9(12)13)7-4-3-5-8(11-7)10(14)15/h6-8,11H,2-5H2,1H3,(H,12,13)(H,14,15)/t6?,7-,8-/m0/s1.
What are the key properties of (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid?
(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 50919304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).