(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid

C13H24N2O3 — CID 81044692

IUPAC(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
SMILESCC[C@@H](NC(=O)CC(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-11(13(17)18)15-12(16)7-9(2)10-5-4-6-14-8-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyOWPOSXDATBIIMT-VQXHTEKXSA-N
MW256.35 g/mol
LogP0.99
Rot. Bonds6

About (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid

(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid (PubChem CID 81044692) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
PubChem CID81044692
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
SMILESCC[C@@H](NC(=O)CC(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-11(13(17)18)15-12(16)7-9(2)10-5-4-6-14-8-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10?,11-/m1/s1
InChIKeyOWPOSXDATBIIMT-VQXHTEKXSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 107824927
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
3-piperidin-3-ylbutanoic acid
CID 71691534
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119690780
N-hexan-3-yl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119757674
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922
N-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The IUPAC name of (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid (CID 81044692) is (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid.
What is the SMILES notation for (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The canonical SMILES for (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid is CC[C@@H](NC(=O)CC(C)C1CCCNC1)C(=O)O.
What is the InChIKey of (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The InChIKey is OWPOSXDATBIIMT-VQXHTEKXSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-11(13(17)18)15-12(16)7-9(2)10-5-4-6-14-8-10/h9-11,14H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9?,10?,11-/m1/s1.
What are the key properties of (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid is sourced from PubChem (CID 81044692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).