N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

C16H27N3O2 — CID 71971656

IUPACN-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCCCNC(=O)N1CC2CCCC2C1)C1CCC1
InChIInChI=1S/C16H27N3O2/c20-15(12-4-1-5-12)17-8-3-9-18-16(21)19-10-13-6-2-7-14(13)11-19/h12-14H,1-11H2,(H,17,20)(H,18,21)
InChIKeyACMQXCPNGKRAPZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.73
Rot. Bonds5

About N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide

N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 71971656) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID71971656
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCCCNC(=O)N1CC2CCCC2C1)C1CCC1
InChIInChI=1S/C16H27N3O2/c20-15(12-4-1-5-12)17-8-3-9-18-16(21)19-10-13-6-2-7-14(13)11-19/h12-14H,1-11H2,(H,17,20)(H,18,21)
InChIKeyACMQXCPNGKRAPZ-UHFFFAOYSA-N
XLogP1.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.73
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

N-[3-[cyclobutanecarbonyl(methyl)amino]propyl]-2-azaspiro[4.4]nonane-2-carboxamide
CID 71869826
2-N-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2,5-dicarboxamide
CID 117603609
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-N-cyclopentylpiperidine-1-carboxamide
CID 71921151
N-[3-(2-cyclopentylethylcarbamoylamino)propyl]cyclobutanecarboxamide
CID 71924700
1-(2-Cyclopentylethyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 78857720
N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 86778937
(3S)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 97080256
(3R)-3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 97080257
(3S)-3-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-N-cyclopentylpiperidine-1-carboxamide
CID 97080258
(3aS,6aR)-N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97597913
(3aS,6aS)-N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97597914
(3aR,6aR)-N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 97597915

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 71971656) is N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(NCCCNC(=O)N1CC2CCCC2C1)C1CCC1.
What is the InChIKey of N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is ACMQXCPNGKRAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c20-15(12-4-1-5-12)17-8-3-9-18-16(21)19-10-13-6-2-7-14(13)11-19/h12-14H,1-11H2,(H,17,20)(H,18,21).
What are the key properties of N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclobutanecarbonylamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 71971656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).