[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate

C12H16N2O3 — CID 7284564

IUPAC[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccn1C)C(=O)NC1CC1
InChIInChI=1S/C12H16N2O3/c1-8(11(15)13-9-5-6-9)17-12(16)10-4-3-7-14(10)2/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyVQYKAEUJLZKYSX-MRVPVSSYSA-N
MW236.27 g/mol
LogP0.85
Rot. Bonds4

About [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate

[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate (PubChem CID 7284564) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
PubChem CID7284564
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccn1C)C(=O)NC1CC1
InChIInChI=1S/C12H16N2O3/c1-8(11(15)13-9-5-6-9)17-12(16)10-4-3-7-14(10)2/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)/t8-/m1/s1
InChIKeyVQYKAEUJLZKYSX-MRVPVSSYSA-N
XLogP0.85
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 2635124
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 47004055
[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7284581
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-aminobenzoate
CID 7781150
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 7382068
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
[1-(cyclopropylamino)-1-oxopropan-2-yl] 4-amino-1-propan-2-ylpyrrole-2-carboxylate
CID 61315301
[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 1-methylpyrrole-2-carboxylate
CID 7228998
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methylthieno[3,2-b]pyrrole-5-carboxylate
CID 7435820

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate (CID 7284564) is [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate is C[C@@H](OC(=O)c1cccn1C)C(=O)NC1CC1.
What is the InChIKey of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
The InChIKey is VQYKAEUJLZKYSX-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(11(15)13-9-5-6-9)17-12(16)10-4-3-7-14(10)2/h3-4,7-9H,5-6H2,1-2H3,(H,13,15)/t8-/m1/s1.
What are the key properties of [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate?
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 7284564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).