methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate

C10H16N2O2 — CID 79415276

IUPACmethyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)C)[nH]1
InChIInChI=1S/C10H16N2O2/c1-7(2)11-6-8-4-5-9(12-8)10(13)14-3/h4-5,7,11-12H,6H2,1-3H3
InChIKeyQCSRVRGRZGYPPM-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.30
Rot. Bonds4

About methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate

methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate (PubChem CID 79415276) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate
PubChem CID79415276
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)C)[nH]1
InChIInChI=1S/C10H16N2O2/c1-7(2)11-6-8-4-5-9(12-8)10(13)14-3/h4-5,7,11-12H,6H2,1-3H3
InChIKeyQCSRVRGRZGYPPM-UHFFFAOYSA-N
XLogP1.30
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]-1H-pyrrole-2-carboxylate
CID 79416366
methyl 5-[(octan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415293
methyl 5-[[1-(4-methoxyphenyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79406170
methyl 5-[[[(1S)-1-(4-chlorophenyl)ethyl]amino]methyl]-1H-pyrrole-2-carboxylate
CID 81352838
methyl 5-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79416448
methyl 5-[[1-(2-methoxyphenyl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79413142
methyl 5-[(3-methylbutylamino)methyl]-1H-pyrrole-2-carboxylate
CID 79415521
methyl 5-[[[(1R)-1-(2-chlorophenyl)ethyl]amino]methyl]-1H-pyrrole-2-carboxylate
CID 81377603
methyl 5-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79415956
methyl 5-[[1-(furan-2-yl)propan-2-ylamino]methyl]-1H-pyrrole-2-carboxylate
CID 79416034
methyl 5-[[(3-methoxy-3-oxopropyl)amino]methyl]-1H-pyrrole-2-carboxylate
CID 79415866
methyl 5-[(4-propan-2-ylanilino)methyl]-1H-pyrrole-2-carboxylate
CID 79415604

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate (CID 79415276) is methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(CNC(C)C)[nH]1.
What is the InChIKey of methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate?
The InChIKey is QCSRVRGRZGYPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)11-6-8-4-5-9(12-8)10(13)14-3/h4-5,7,11-12H,6H2,1-3H3.
What are the key properties of methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate?
methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(propan-2-ylamino)methyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 79415276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).