(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid

C14H26N2O4 — CID 63902962

IUPAC(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)12(13(18)19)16-11(17)6-9-20-10-4-7-15-8-5-10/h10,12,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyDYHJXTGJYCJFAO-GFCCVEGCSA-N
MW286.37 g/mol
LogP0.76
Rot. Bonds6

About (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid

(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid (PubChem CID 63902962) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
PubChem CID63902962
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
SMILESCC(C)(C)[C@H](NC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-14(2,3)12(13(18)19)16-11(17)6-9-20-10-4-7-15-8-5-10/h10,12,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1
InChIKeyDYHJXTGJYCJFAO-GFCCVEGCSA-N
XLogP0.76
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-4-yloxypropanamide
CID 106349871
(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
CID 78953665
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702
2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
CID 63875636
3-methyl-3-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 64702490
N-(2,3-dimethylbutyl)-3-piperidin-4-yloxypropanamide
CID 64599298
2-methoxy-3-(3-piperidin-4-yloxypropanoylamino)propanoic acid
CID 106108800
(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 103927215
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487
N-[3-(hydroxymethyl)pentan-3-yl]-3-piperidin-4-yloxypropanamide
CID 63905078
(2R)-3,3-dimethyl-2-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 113353183
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid (CID 63902962) is (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid is CC(C)(C)[C@H](NC(=O)CCOC1CCNCC1)C(=O)O.
What is the InChIKey of (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid?
The InChIKey is DYHJXTGJYCJFAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)12(13(18)19)16-11(17)6-9-20-10-4-7-15-8-5-10/h10,12,15H,4-9H2,1-3H3,(H,16,17)(H,18,19)/t12-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid?
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid is sourced from PubChem (CID 63902962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).