methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate

C11H18N2O2 — CID 66398300

IUPACmethyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate
SMILESCOC(=O)CCC(N)Cc1ccn(C)c1
InChIInChI=1S/C11H18N2O2/c1-13-6-5-9(8-13)7-10(12)3-4-11(14)15-2/h5-6,8,10H,3-4,7,12H2,1-2H3
InChIKeyQQAIXUWQRHKRLU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.85
Rot. Bonds5

About methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate

methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate (PubChem CID 66398300) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate
PubChem CID66398300
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Namemethyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate
SMILESCOC(=O)CCC(N)Cc1ccn(C)c1
InChIInChI=1S/C11H18N2O2/c1-13-6-5-9(8-13)7-10(12)3-4-11(14)15-2/h5-6,8,10H,3-4,7,12H2,1-2H3
InChIKeyQQAIXUWQRHKRLU-UHFFFAOYSA-N
XLogP0.85
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Pyrrolyl)butyric acid
CID 255668
[1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 2800139
[(E)-1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 135445568
[(Z)-1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 136672589
6-(Pyrrol-3-yl) hexanoic acid
CID 95436091
fluoro 3-(4-propyl-1H-pyrrol-2-yl)propanoate
CID 145546868
Methyl 3-(1H-pyrrol-3-yl)propanoate
CID 556813
Ethyl 3-phenyl-3-pyrrol-1-ylpropanoate
CID 178270789
Methyl 2-[[2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]carbamoyl]cyclopentane-1-carboxylate
CID 75499299
cis-methyl (1R,2S)-2-[[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]carbamoyl]cyclopentane-1-carboxylate
CID 98887525
trans-methyl (1R,2R)-2-[[(1R)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]carbamoyl]cyclopentane-1-carboxylate
CID 98887526
cis-methyl (1R,2S)-2-[[(1S)-2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethyl]carbamoyl]cyclopentane-1-carboxylate
CID 100072463

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate?
The IUPAC name of methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate (CID 66398300) is methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate.
What is the SMILES notation for methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate?
The canonical SMILES for methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate is COC(=O)CCC(N)Cc1ccn(C)c1.
What is the InChIKey of methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate?
The InChIKey is QQAIXUWQRHKRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-13-6-5-9(8-13)7-10(12)3-4-11(14)15-2/h5-6,8,10H,3-4,7,12H2,1-2H3.
What are the key properties of methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate?
methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate has a molecular weight of 210.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-(1-methylpyrrol-3-yl)pentanoate is sourced from PubChem (CID 66398300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).