methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate

C10H14N2O2 — CID 116857352

IUPACmethyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
SMILESCOC(=O)C(NC1CC1)c1ccc[nH]1
InChIInChI=1S/C10H14N2O2/c1-14-10(13)9(12-7-4-5-7)8-3-2-6-11-8/h2-3,6-7,9,11-12H,4-5H2,1H3
InChIKeySMNPFIWJUVJNSI-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.98
Rot. Bonds4

About methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate

methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate (PubChem CID 116857352) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
PubChem CID116857352
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate
SMILESCOC(=O)C(NC1CC1)c1ccc[nH]1
InChIInChI=1S/C10H14N2O2/c1-14-10(13)9(12-7-4-5-7)8-3-2-6-11-8/h2-3,6-7,9,11-12H,4-5H2,1H3
InChIKeySMNPFIWJUVJNSI-UHFFFAOYSA-N
XLogP0.98
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(cyclopropylamino)-2-(2,6-difluorophenyl)acetate
CID 60795655
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
CID 83528987
methyl 2-(cyclopropylamino)-2-pyridin-4-ylacetate
CID 116857371
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
methyl 2,3-dihydroxy-3-(1H-pyrrol-2-yl)propanoate
CID 171865398
methyl 2-(cyclopropylamino)-2-pyridin-2-ylacetate
CID 66593106
methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
methyl 2-(cyclopropylamino)-2-isoquinolin-4-ylacetate
CID 104504264
methyl 2-(cyclopropylamino)-2-thiophen-3-ylacetate
CID 60795530
methyl 2-[(4-methylcycloheptyl)amino]-2-phenylacetate
CID 65080240
1-O-methyl 3-O-propan-2-yl 2-(1H-pyrrol-2-yl)propanedioate
CID 10105075

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate?
The IUPAC name of methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate (CID 116857352) is methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate?
The canonical SMILES for methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate is COC(=O)C(NC1CC1)c1ccc[nH]1.
What is the InChIKey of methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate?
The InChIKey is SMNPFIWJUVJNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-14-10(13)9(12-7-4-5-7)8-3-2-6-11-8/h2-3,6-7,9,11-12H,4-5H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate?
methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate has a molecular weight of 194.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-2-(1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 116857352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).