methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate

C13H19ClN2O3 — CID 43409120

IUPACmethyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(Cl)cn1C
InChIInChI=1S/C13H19ClN2O3/c1-8(2)5-10(13(18)19-4)15-12(17)11-6-9(14)7-16(11)3/h6-8,10H,5H2,1-4H3,(H,15,17)
InChIKeyFUYYTXCUAOPNJW-UHFFFAOYSA-N
MW286.76 g/mol
LogP2.00
Rot. Bonds5

About methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate

methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate (PubChem CID 43409120) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate
PubChem CID43409120
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Namemethyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cc(Cl)cn1C
InChIInChI=1S/C13H19ClN2O3/c1-8(2)5-10(13(18)19-4)15-12(17)11-6-9(14)7-16(11)3/h6-8,10H,5H2,1-4H3,(H,15,17)
InChIKeyFUYYTXCUAOPNJW-UHFFFAOYSA-N
XLogP2.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 162651172
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CID 10703029
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CID 42959637
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CID 47387088
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CID 51097039
CID 51097039
CID 53554668
CID 53554668
CID 71879931
CID 71879931
CID 71977479
CID 71977479
CID 72917385
CID 72917385
CID 84588943
CID 84588943
CID 194149
CID 194149
CID 91911240
CID 91911240

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate (CID 43409120) is methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)NC(=O)c1cc(Cl)cn1C.
What is the InChIKey of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate?
The InChIKey is FUYYTXCUAOPNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-8(2)5-10(13(18)19-4)15-12(17)11-6-9(14)7-16(11)3/h6-8,10H,5H2,1-4H3,(H,15,17).
What are the key properties of methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate?
methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate has a molecular weight of 286.76 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]-4-methylpentanoate is sourced from PubChem (CID 43409120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).