tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate

C16H26N2O3 — CID 174503434

IUPACtert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate
SMILESCC(C)CC(O)c1ccc(C(N)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H26N2O3/c1-10(2)8-13(19)12-7-6-11(9-18-12)14(17)15(20)21-16(3,4)5/h6-7,9-10,13-14,19H,8,17H2,1-5H3
InChIKeyVRMXFGWRARGCCA-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.50
Rot. Bonds5

About tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate

tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate (PubChem CID 174503434) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate
PubChem CID174503434
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nametert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate
SMILESCC(C)CC(O)c1ccc(C(N)C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H26N2O3/c1-10(2)8-13(19)12-7-6-11(9-18-12)14(17)15(20)21-16(3,4)5/h6-7,9-10,13-14,19H,8,17H2,1-5H3
InChIKeyVRMXFGWRARGCCA-UHFFFAOYSA-N
XLogP2.50
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-amino-2-[6-(aminomethyl)-3-pyridinyl]acetate
CID 67463487
tert-butyl 2-amino-2-(4-bromophenyl)acetate
CID 90487455
tert-butyl 2-amino-2-[2-(aminomethyl)-4-pyridinyl]acetate
CID 70279325
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
CID 174697637
CID 174697637
azane;tert-butyl 2-amino-2-[4-(aminomethyl)phenyl]acetate
CID 166772320
tert-butyl (2S)-2-amino-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridinyl]acetate
CID 97357103
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
tert-butyl (2S,3R)-2-amino-3-(6-bromo-3-pyridinyl)-3-hydroxypropanoate
CID 125458790
3-[4-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid
CID 118703205
tert-butyl N-[2-hydroxy-2-(5-isocyano-2-pyridinyl)ethyl]carbamate
CID 21064725

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate?
The IUPAC name of tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate (CID 174503434) is tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate.
What is the SMILES notation for tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate?
The canonical SMILES for tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate is CC(C)CC(O)c1ccc(C(N)C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate?
The InChIKey is VRMXFGWRARGCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)8-13(19)12-7-6-11(9-18-12)14(17)15(20)21-16(3,4)5/h6-7,9-10,13-14,19H,8,17H2,1-5H3.
What are the key properties of tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate?
tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate has a molecular weight of 294.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-[6-(1-hydroxy-3-methylbutyl)-3-pyridinyl]acetate is sourced from PubChem (CID 174503434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).