2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid

C13H21N3O3 — CID 175857975

IUPAC2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOc1cnccc1CN)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-13(2,3)16(12(17)18)6-7-19-11-9-15-5-4-10(11)8-14/h4-5,9H,6-8,14H2,1-3H3,(H,17,18)
InChIKeyYKEOCBNYKWMERD-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.70
Rot. Bonds5

About 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid

2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid (PubChem CID 175857975) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid.

Molecular Properties

Compound Name2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid
PubChem CID175857975
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid
SMILESCC(C)(C)N(CCOc1cnccc1CN)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-13(2,3)16(12(17)18)6-7-19-11-9-15-5-4-10(11)8-14/h4-5,9H,6-8,14H2,1-3H3,(H,17,18)
InChIKeyYKEOCBNYKWMERD-UHFFFAOYSA-N
XLogP1.70
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-(3-methoxypropoxy)ethoxy]-4-pyridinyl]methanamine
CID 103176702
3-[2-[di(propan-2-yl)amino]ethoxy]pyridine-4-carboxylic acid
CID 115505910
2-aminooxyethyl(tert-butyl)carbamic acid
CID 86619024
2-[tert-butyl-(3-methoxypyridine-4-carbonyl)amino]acetic acid
CID 105063247
[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-4-pyridinyl]methanol
CID 105067216
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-pyridinyl]methanamine
CID 112589639
tert-butyl 3-[[4-(aminomethyl)-3-pyridinyl]oxymethyl]morpholine-4-carboxylate
CID 166781673
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl-tert-butylcarbamic acid
CID 98007656
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]methanamine
CID 142566545
4-(aminomethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68860386

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid?
The IUPAC name of 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid (CID 175857975) is 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid.
What is the SMILES notation for 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid?
The canonical SMILES for 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid is CC(C)(C)N(CCOc1cnccc1CN)C(=O)O.
What is the InChIKey of 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid?
The InChIKey is YKEOCBNYKWMERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)16(12(17)18)6-7-19-11-9-15-5-4-10(11)8-14/h4-5,9H,6-8,14H2,1-3H3,(H,17,18).
What are the key properties of 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid?
2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid has a molecular weight of 267.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(aminomethyl)-3-pyridinyl]oxy]ethyl-tert-butylcarbamic acid is sourced from PubChem (CID 175857975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).