2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid

C14H28N2O3 — CID 83996082

IUPAC2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
SMILESCC(C)CCNC1CC(CCO)CN(CC(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)3-5-15-13-7-12(4-6-17)8-16(9-13)10-14(18)19/h11-13,15,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyTZKMQRZFPUXYJD-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.78
Rot. Bonds8

About 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid

2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid (PubChem CID 83996082) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
PubChem CID83996082
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
SMILESCC(C)CCNC1CC(CCO)CN(CC(=O)O)C1
InChIInChI=1S/C14H28N2O3/c1-11(2)3-5-15-13-7-12(4-6-17)8-16(9-13)10-14(18)19/h11-13,15,17H,3-10H2,1-2H3,(H,18,19)
InChIKeyTZKMQRZFPUXYJD-UHFFFAOYSA-N
XLogP0.78
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
3-[3-(3-methylbutylamino)-5-propylpiperidin-1-yl]propanoic acid
CID 83996060
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
2-[5-(3-methylbutylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]ethanol
CID 83995969
3-[1-methyl-5-(3-methylbutylamino)piperidin-3-yl]propanoic acid
CID 83995532
2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
CID 83994006
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
2-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]acetic acid
CID 83995392
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
methyl 3-[1-ethyl-5-(3-methylbutylamino)piperidin-3-yl]propanoate
CID 83995572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid (CID 83996082) is 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid is CC(C)CCNC1CC(CCO)CN(CC(=O)O)C1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
The InChIKey is TZKMQRZFPUXYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-11(2)3-5-15-13-7-12(4-6-17)8-16(9-13)10-14(18)19/h11-13,15,17H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid?
2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid has a molecular weight of 272.39 g/mol, XLogP of 0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid is sourced from PubChem (CID 83996082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).