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

C15H26N2O2 — CID 97223382

IUPAC(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCCCOCC1CC1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C15H26N2O2/c18-15(16-7-2-8-19-11-12-5-6-12)17-9-13-3-1-4-14(13)10-17/h12-14H,1-11H2,(H,16,18)/t13-,14-/m0/s1
InChIKeyQJUTXIZJMZBIGB-KBPBESRZSA-N
MW266.38 g/mol
LogP2.24
Rot. Bonds6

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

(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (PubChem CID 97223382) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
PubChem CID97223382
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
SMILESO=C(NCCCOCC1CC1)N1C[C@@H]2CCC[C@H]2C1
InChIInChI=1S/C15H26N2O2/c18-15(16-7-2-8-19-11-12-5-6-12)17-9-13-3-1-4-14(13)10-17/h12-14H,1-11H2,(H,16,18)/t13-,14-/m0/s1
InChIKeyQJUTXIZJMZBIGB-KBPBESRZSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(cyclopropylmethoxy)propyl]pyrrolidine-1-carboxamide
CID 52572173
N-[3-(oxan-4-ylmethoxy)propyl]-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 71989895
1-[3-(cyclopropylmethoxy)propylcarbamoyl]piperidine-2-carboxylic acid
CID 103994468
N-[2-(cyclopropylmethoxy)ethyl]-4-methylpiperidine-1-carboxamide
CID 113233568
N-[3-(cyclopropylmethoxy)propyl]-2-methoxypropanamide
CID 115588529
1-(cyclopropanecarbonyl)-N-[3-(cyclopropylmethoxy)propyl]piperidine-4-carboxamide
CID 46419524
2-(cyclopropylamino)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 60712208
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
N'-[3-(cyclopropylmethoxy)propyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443075
2-amino-N-[2-[3-(cyclopropylmethoxy)propylamino]-2-oxoethyl]acetamide
CID 60847429
2-bromo-N-[3-(cyclopropylmethoxy)propyl]butanamide
CID 62854201
N-(3-methoxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbothioamide
CID 115690715

Frequently Asked Questions

What is the IUPAC name of (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The IUPAC name of (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide (CID 97223382) is (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide.
What is the SMILES notation for (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The canonical SMILES for (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is O=C(NCCCOCC1CC1)N1C[C@@H]2CCC[C@H]2C1.
What is the InChIKey of (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
The InChIKey is QJUTXIZJMZBIGB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H26N2O2/c18-15(16-7-2-8-19-11-12-5-6-12)17-9-13-3-1-4-14(13)10-17/h12-14H,1-11H2,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide?
(3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aR)-N-[3-(cyclopropylmethoxy)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide is sourced from PubChem (CID 97223382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).