(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate

C10H20N2O3 — CID 66172845

IUPAC(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate
SMILESCN1CCC(OC(=O)C(C)(O)CN)CC1
InChIInChI=1S/C10H20N2O3/c1-10(14,7-11)9(13)15-8-3-5-12(2)6-4-8/h8,14H,3-7,11H2,1-2H3
InChIKeyIMZLQIZHNIWIDP-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.67
Rot. Bonds3

About (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate

(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate (PubChem CID 66172845) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate
PubChem CID66172845
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate
SMILESCN1CCC(OC(=O)C(C)(O)CN)CC1
InChIInChI=1S/C10H20N2O3/c1-10(14,7-11)9(13)15-8-3-5-12(2)6-4-8/h8,14H,3-7,11H2,1-2H3
InChIKeyIMZLQIZHNIWIDP-UHFFFAOYSA-N
XLogP-0.67
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpiperidin-4-yl) 2-hydroxy-2-prop-1-ynylpent-3-ynoate
CID 3063992
oxolan-3-yl 3-amino-2-hydroxy-2-methylpropanoate
CID 66173034
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
(1-methylpiperidin-4-yl) 2-sulfanylpropanoate
CID 107018228
cyclopentyl 3-amino-2-chloro-2-methylpropanoate
CID 175628072
(1-methylpiperidin-4-yl) 2-[3-[5-(aminomethyl)thiophen-2-yl]phenyl]-2-hydroxy-2-phenylacetate
CID 134180483
(1-methylpiperidin-4-yl) 2-cyclohexyl-2-hydroxy-5-methylhex-3-ynoate
CID 13371161
2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
CID 174993890
[4-(1-methylpiperidin-4-yl)cyclohexyl] carbamate
CID 175109270
ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 58928695
(8-methyl-8-aza-5-azoniaspiro[4.5]decan-3-yl) 2-hydroxy-2-methylpropanoate
CID 158103107
(1-methylpiperidin-4-yl) 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 122668863

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate?
The IUPAC name of (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate (CID 66172845) is (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate is CN1CCC(OC(=O)C(C)(O)CN)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate?
The InChIKey is IMZLQIZHNIWIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(14,7-11)9(13)15-8-3-5-12(2)6-4-8/h8,14H,3-7,11H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate?
(1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate has a molecular weight of 216.28 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 3-amino-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 66172845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).