2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate

C9H14N2O3 — CID 65279686

IUPAC2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCC(O)COC(=O)c1cc(N)cn1C
InChIInChI=1S/C9H14N2O3/c1-6(12)5-14-9(13)8-3-7(10)4-11(8)2/h3-4,6,12H,5,10H2,1-2H3
InChIKeyNUERGKCRMVOTMG-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.14
Rot. Bonds3

About 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate

2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate (PubChem CID 65279686) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
PubChem CID65279686
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
SMILESCC(O)COC(=O)c1cc(N)cn1C
InChIInChI=1S/C9H14N2O3/c1-6(12)5-14-9(13)8-3-7(10)4-11(8)2/h3-4,6,12H,5,10H2,1-2H3
InChIKeyNUERGKCRMVOTMG-UHFFFAOYSA-N
XLogP0.14
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
pentan-2-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 102983089
(2-ethoxy-2-oxoethyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61322501
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
decyl 4-amino-1-methylpyrrole-2-carboxylate
CID 63450419
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
2-(diethylamino)ethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61322678
2-methylpropyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61309440
[1-oxo-1-(propylamino)propan-2-yl] 4-amino-1-methylpyrrole-2-carboxylate
CID 61323051
(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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate?
The IUPAC name of 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate (CID 65279686) is 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate?
The canonical SMILES for 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate is CC(O)COC(=O)c1cc(N)cn1C.
What is the InChIKey of 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate?
The InChIKey is NUERGKCRMVOTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(12)5-14-9(13)8-3-7(10)4-11(8)2/h3-4,6,12H,5,10H2,1-2H3.
What are the key properties of 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate?
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 65279686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).