(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid

C10H19NO2 — CID 95732457

IUPAC(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
SMILESCC[C@H](CC(=O)O)[C@@H]1CCCNC1
InChIInChI=1S/C10H19NO2/c1-2-8(6-10(12)13)9-4-3-5-11-7-9/h8-9,11H,2-7H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyLXVYOZASWOMDIF-RKDXNWHRSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds4

About (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid

(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid (PubChem CID 95732457) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
PubChem CID95732457
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
SMILESCC[C@H](CC(=O)O)[C@@H]1CCCNC1
InChIInChI=1S/C10H19NO2/c1-2-8(6-10(12)13)9-4-3-5-11-7-9/h8-9,11H,2-7H2,1H3,(H,12,13)/t8-,9-/m1/s1
InChIKeyLXVYOZASWOMDIF-RKDXNWHRSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
1-amino-1-piperidin-3-ylpropan-2-one
CID 129030594
3-(4-oxocyclohexyl)pentanoic acid
CID 152652607
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
1-(1-piperidin-3-ylethyl)-3-propylurea
CID 43523385
4-methyl-3-pyrrolidin-3-ylpentanoic acid
CID 82406112
3-[[(2-piperidin-3-ylacetyl)amino]methyl]pentanoic acid
CID 81073402

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid?
The IUPAC name of (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid (CID 95732457) is (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid.
What is the SMILES notation for (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid?
The canonical SMILES for (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid is CC[C@H](CC(=O)O)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid?
The InChIKey is LXVYOZASWOMDIF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-8(6-10(12)13)9-4-3-5-11-7-9/h8-9,11H,2-7H2,1H3,(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid?
(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3S)-piperidin-3-yl]pentanoic acid is sourced from PubChem (CID 95732457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).