ethyl 2-(pyrrol-1-ylamino)pentanoate

C11H18N2O2 — CID 83041117

IUPACethyl 2-(pyrrol-1-ylamino)pentanoate
SMILESCCCC(Nn1cccc1)C(=O)OCC
InChIInChI=1S/C11H18N2O2/c1-3-7-10(11(14)15-4-2)12-13-8-5-6-9-13/h5-6,8-10,12H,3-4,7H2,1-2H3
InChIKeyLQLNNUFZGHNIHK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.76
Rot. Bonds6

About ethyl 2-(pyrrol-1-ylamino)pentanoate

ethyl 2-(pyrrol-1-ylamino)pentanoate (PubChem CID 83041117) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-(pyrrol-1-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(pyrrol-1-ylamino)pentanoate
PubChem CID83041117
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-(pyrrol-1-ylamino)pentanoate
SMILESCCCC(Nn1cccc1)C(=O)OCC
InChIInChI=1S/C11H18N2O2/c1-3-7-10(11(14)15-4-2)12-13-8-5-6-9-13/h5-6,8-10,12H,3-4,7H2,1-2H3
InChIKeyLQLNNUFZGHNIHK-UHFFFAOYSA-N
XLogP1.76
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrol-1-ylamino)butanoic acid
CID 69472808
ethyl 2-(phosphanylamino)pentanoate
CID 59113606
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl 2-(2-methylpropylamino)pentanoate
CID 61001695
ethyl 2-(propan-2-ylamino)-4-pyrazol-1-ylbutanoate
CID 55144911
ethyl 2-[(1-methylpiperidin-4-yl)methylamino]pentanoate
CID 83041204
ethyl 2-[2-(2-hydroxyethyl)pentylamino]pentanoate
CID 106115403
ethyl 2-[2-(diethylamino)ethylamino]pentanoate
CID 54890434
ethyl 2-[(2-chloroacetyl)amino]pentanoate
CID 176548507
(2S)-2-[[(2R)-1-ethoxy-1-oxopentan-2-yl]amino]propanoic acid
CID 41092480
2-[(1-ethoxy-1-oxopentan-2-yl)amino]propanoic acid
CID 13258848
ethyl (2S,3R)-3-methyl-2-pyrrol-1-ylpentanoate
CID 42579739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(pyrrol-1-ylamino)pentanoate?
The IUPAC name of ethyl 2-(pyrrol-1-ylamino)pentanoate (CID 83041117) is ethyl 2-(pyrrol-1-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-(pyrrol-1-ylamino)pentanoate?
The canonical SMILES for ethyl 2-(pyrrol-1-ylamino)pentanoate is CCCC(Nn1cccc1)C(=O)OCC.
What is the InChIKey of ethyl 2-(pyrrol-1-ylamino)pentanoate?
The InChIKey is LQLNNUFZGHNIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-7-10(11(14)15-4-2)12-13-8-5-6-9-13/h5-6,8-10,12H,3-4,7H2,1-2H3.
What are the key properties of ethyl 2-(pyrrol-1-ylamino)pentanoate?
ethyl 2-(pyrrol-1-ylamino)pentanoate has a molecular weight of 210.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(pyrrol-1-ylamino)pentanoate is sourced from PubChem (CID 83041117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).