methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate

C16H23N3O3 — CID 99848863

IUPACmethyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)N2CCC[C@@H]2C2CCC2)cn1C
InChIInChI=1S/C16H23N3O3/c1-18-10-12(9-14(18)15(20)22-2)17-16(21)19-8-4-7-13(19)11-5-3-6-11/h9-11,13H,3-8H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeySVCVBHGUROBQKX-CYBMUJFWSA-N
MW305.38 g/mol
LogP2.61
Rot. Bonds3

About methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate

methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate (PubChem CID 99848863) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate
PubChem CID99848863
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)N2CCC[C@@H]2C2CCC2)cn1C
InChIInChI=1S/C16H23N3O3/c1-18-10-12(9-14(18)15(20)22-2)17-16(21)19-8-4-7-13(19)11-5-3-6-11/h9-11,13H,3-8H2,1-2H3,(H,17,21)/t13-/m1/s1
InChIKeySVCVBHGUROBQKX-CYBMUJFWSA-N
XLogP2.61
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]-1-methylpyrrole-2-carboxylate
CID 120992002
2-cyclobutyl-N-(5-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 71860746
methyl 4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]sulfonyl]-1-methylpyrrole-2-carboxylate
CID 92722770
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)benzoic acid
CID 65319992
(4aS,7aR)-N-(3-iodophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 96529176
(4aS,7aS)-N-(6-methoxypyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97350302
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005
2-cyclohexyl-N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 112838363
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732
(4-bromo-1-methylpyrrol-2-yl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 61244728
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-bromo-2-methylpropan-1-one
CID 114328811
N-tert-butyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 115695145

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate?
The IUPAC name of methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate (CID 99848863) is methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate is COC(=O)c1cc(NC(=O)N2CCC[C@@H]2C2CCC2)cn1C.
What is the InChIKey of methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate?
The InChIKey is SVCVBHGUROBQKX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-18-10-12(9-14(18)15(20)22-2)17-16(21)19-8-4-7-13(19)11-5-3-6-11/h9-11,13H,3-8H2,1-2H3,(H,17,21)/t13-/m1/s1.
What are the key properties of methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate?
methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-cyclobutylpyrrolidine-1-carbonyl]amino]-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 99848863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).