tert-butyl 4-amino-1-methylpyrrole-2-carboxylate

C10H16N2O2 — CID 45089376

IUPACtert-butyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)8-5-7(11)6-12(8)4/h5-6H,11H2,1-4H3
InChIKeyWOAMWWLHODWMJH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.56
Rot. Bonds1

About tert-butyl 4-amino-1-methylpyrrole-2-carboxylate

tert-butyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 45089376) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is tert-butyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID45089376
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nametert-butyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCn1cc(N)cc1C(=O)OC(C)(C)C
InChIInChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)8-5-7(11)6-12(8)4/h5-6H,11H2,1-4H3
InChIKeyWOAMWWLHODWMJH-UHFFFAOYSA-N
XLogP1.56
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
(3-methoxy-2,2-dimethyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 79620796
(3-methoxy-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 103036381
(3-cyano-3-methylbutyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 65252842
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61309814
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322678

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of tert-butyl 4-amino-1-methylpyrrole-2-carboxylate (CID 45089376) is tert-butyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for tert-butyl 4-amino-1-methylpyrrole-2-carboxylate is Cn1cc(N)cc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is WOAMWWLHODWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)8-5-7(11)6-12(8)4/h5-6H,11H2,1-4H3.
What are the key properties of tert-butyl 4-amino-1-methylpyrrole-2-carboxylate?
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 45089376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).