(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid

C13H24N2O4 — CID 107824927

IUPAC(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
SMILESCC(CC(=O)N[C@@H](CCO)C(=O)O)C1CCCNC1
InChIInChI=1S/C13H24N2O4/c1-9(10-3-2-5-14-8-10)7-12(17)15-11(4-6-16)13(18)19/h9-11,14,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyXLXLDVAYJKUCDO-ILDUYXDCSA-N
MW272.34 g/mol
LogP-0.04
Rot. Bonds7

About (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid

(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid (PubChem CID 107824927) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
PubChem CID107824927
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
SMILESCC(CC(=O)N[C@@H](CCO)C(=O)O)C1CCCNC1
InChIInChI=1S/C13H24N2O4/c1-9(10-3-2-5-14-8-10)7-12(17)15-11(4-6-16)13(18)19/h9-11,14,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10?,11-/m0/s1
InChIKeyXLXLDVAYJKUCDO-ILDUYXDCSA-N
XLogP-0.04
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044692
2-methyl-4-(3-piperidin-3-ylbutanoylamino)butanoic acid
CID 81044471
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
N-(1-hydroxy-3-methoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 106188309
2-methyl-5-(3-piperidin-3-ylbutanoylamino)pentanoic acid
CID 115867286
N-(3-ethylpentan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043690
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-(1,1-dimethoxypropan-2-yl)-3-piperidin-3-ylbutanamide
CID 81043605
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 81043922
N-(4-ethylsulfanylbutan-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791054

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid (CID 107824927) is (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid is CC(CC(=O)N[C@@H](CCO)C(=O)O)C1CCCNC1.
What is the InChIKey of (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
The InChIKey is XLXLDVAYJKUCDO-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(10-3-2-5-14-8-10)7-12(17)15-11(4-6-16)13(18)19/h9-11,14,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid?
(2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid has a molecular weight of 272.34 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-(3-piperidin-3-ylbutanoylamino)butanoic acid is sourced from PubChem (CID 107824927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).