methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate

C13H18N2O4 — CID 114610705

IUPACmethyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C13H18N2O4/c1-19-13(18)10(8-16)14-12(17)11-6-3-7-15(11)9-4-2-5-9/h3,6-7,9-10,16H,2,4-5,8H2,1H3,(H,14,17)
InChIKeyDCQVBTJADODCGZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.48
Rot. Bonds5

About methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate

methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate (PubChem CID 114610705) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
PubChem CID114610705
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NC(=O)c1cccn1C1CCC1
InChIInChI=1S/C13H18N2O4/c1-19-13(18)10(8-16)14-12(17)11-6-3-7-15(11)9-4-2-5-9/h3,6-7,9-10,16H,2,4-5,8H2,1H3,(H,14,17)
InChIKeyDCQVBTJADODCGZ-UHFFFAOYSA-N
XLogP0.48
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-cyclopropylpyrrole-2-carbonyl)amino]-3-methoxypropanoic acid
CID 81076810
1-cyclopentyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2-carboxamide
CID 110008236
methyl 2-[(1-ethylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate
CID 43638993
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
2-[(1-cyclopropylpyrrole-2-carbonyl)amino]pentanoic acid
CID 43639324
1-cyclobutyl-N-[2-(2-methoxyethylamino)ethyl]pyrrole-2-carboxamide
CID 114610635
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
1-cyclopropyl-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrole-2-carboxamide
CID 107861229
(2S)-4-hydroxy-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]butanoic acid
CID 107824874
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110011756

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate (CID 114610705) is methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate is COC(=O)C(CO)NC(=O)c1cccn1C1CCC1.
What is the InChIKey of methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
The InChIKey is DCQVBTJADODCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-13(18)10(8-16)14-12(17)11-6-3-7-15(11)9-4-2-5-9/h3,6-7,9-10,16H,2,4-5,8H2,1H3,(H,14,17).
What are the key properties of methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate?
methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate has a molecular weight of 266.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyclobutylpyrrole-2-carbonyl)amino]-3-hydroxypropanoate is sourced from PubChem (CID 114610705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).