tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate

C18H30N4O2 — CID 129429197

IUPACtert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
SMILESCCn1nccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1
InChIInChI=1S/C18H30N4O2/c1-5-22-14(8-9-19-22)11-21-10-13-6-7-16(15(13)12-21)20-17(23)24-18(2,3)4/h8-9,13,15-16H,5-7,10-12H2,1-4H3,(H,20,23)/t13-,15-,16+/m0/s1
InChIKeyFCAAIRZFWYLOPY-CWRNSKLLSA-N
MW334.46 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate

tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate (PubChem CID 129429197) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
PubChem CID129429197
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Nametert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
SMILESCCn1nccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1
InChIInChI=1S/C18H30N4O2/c1-5-22-14(8-9-19-22)11-21-10-13-6-7-16(15(13)12-21)20-17(23)24-18(2,3)4/h8-9,13,15-16H,5-7,10-12H2,1-4H3,(H,20,23)/t13-,15-,16+/m0/s1
InChIKeyFCAAIRZFWYLOPY-CWRNSKLLSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(3aS,4R,6aR)-2-(pyridin-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100895158
tert-butyl N-[(3aR,4S,6aR)-2-[(1-methylpyrrol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 129398618
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-[(3aS,4R,6aR)-2-(furan-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100895333
tert-butyl N-[(3aS,4R,6aR)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 99854546
tert-butyl N-[4-[(2-ethylpyrazol-3-yl)methylamino]cyclohexyl]carbamate
CID 103845092
tert-butyl N-[(3aS,4R,6aS)-2-[(5-cyanofuran-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 98888918
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3aR,4R,6aR)-2-(quinolin-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100686143
tert-butyl N-[2-[(2-propylpyrazol-3-yl)methylamino]cyclopentyl]carbamate
CID 107243745
(3aR,4S,6aR)-2-benzyl-N-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 99854124
tert-butyl N-[(3aS,4R,6aS)-2-(furan-2-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100899117

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate (CID 129429197) is tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate is CCn1nccc1CN1C[C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1.
What is the InChIKey of tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
The InChIKey is FCAAIRZFWYLOPY-CWRNSKLLSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-5-22-14(8-9-19-22)11-21-10-13-6-7-16(15(13)12-21)20-17(23)24-18(2,3)4/h8-9,13,15-16H,5-7,10-12H2,1-4H3,(H,20,23)/t13-,15-,16+/m0/s1.
What are the key properties of tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate?
tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3aR,4R,6aR)-2-[(2-ethylpyrazol-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate is sourced from PubChem (CID 129429197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).