(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide

C17H29N3O2 — CID 97310729

IUPAC(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCC[C@@H]1C1CCC1)C1CCCC1
InChIInChI=1S/C17H29N3O2/c21-16(14-5-1-2-6-14)18-10-11-19-17(22)20-12-4-9-15(20)13-7-3-8-13/h13-15H,1-12H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyUIBOCDHIIOHVOA-OAHLLOKOSA-N
MW307.44 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide

(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide (PubChem CID 97310729) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
PubChem CID97310729
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCC[C@@H]1C1CCC1)C1CCCC1
InChIInChI=1S/C17H29N3O2/c21-16(14-5-1-2-6-14)18-10-11-19-17(22)20-12-4-9-15(20)13-7-3-8-13/h13-15H,1-12H2,(H,18,21)(H,19,22)/t15-/m1/s1
InChIKeyUIBOCDHIIOHVOA-OAHLLOKOSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]-2-hydroxybutanoic acid
CID 107841410
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
2-cyclohexyl-N-[3-(dimethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 71938767
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
cyclobutyl-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 110871989
5-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylpentanoic acid
CID 104686548
2-[[2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]acetyl]amino]acetic acid
CID 102727447
2-[[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)acetyl]amino]acetic acid
CID 65320370
(4aR,7aR)-N-[2-(1H-pyrazole-5-carbonylamino)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97346303
2-[2-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonylamino)ethoxy]acetic acid
CID 82750342
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)-2-methylpropanoic acid
CID 65319645
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)cyclohexyl]-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 60596758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide (CID 97310729) is (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide is O=C(NCCNC(=O)N1CCC[C@@H]1C1CCC1)C1CCCC1.
What is the InChIKey of (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is UIBOCDHIIOHVOA-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(14-5-1-2-6-14)18-10-11-19-17(22)20-12-4-9-15(20)13-7-3-8-13/h13-15H,1-12H2,(H,18,21)(H,19,22)/t15-/m1/s1.
What are the key properties of (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide?
(2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclobutyl-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97310729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).