tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate

C24H37N3O4 — CID 171676510

IUPACtert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C24H37N3O4/c1-24(2,3)31-23(30)25-18-9-5-8-17(18)21(28)27-19-10-16(19)11-20(27)22(29)26-12-14-6-4-7-15(14)13-26/h14-20H,4-13H2,1-3H3,(H,25,30)/t14?,15?,16-,17-,18+,19-,20+/m1/s1
InChIKeyPKCNPGOROFPYHF-JUXFGPHOSA-N
MW431.58 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate

tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate (PubChem CID 171676510) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate
PubChem CID171676510
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Nametert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CC2CCCC2C1
InChIInChI=1S/C24H37N3O4/c1-24(2,3)31-23(30)25-18-9-5-8-17(18)21(28)27-19-10-16(19)11-20(27)22(29)26-12-14-6-4-7-15(14)13-26/h14-20H,4-13H2,1-3H3,(H,25,30)/t14?,15?,16-,17-,18+,19-,20+/m1/s1
InChIKeyPKCNPGOROFPYHF-JUXFGPHOSA-N
XLogP2.93
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate
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CID 67452283
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
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tert-butyl N-[2-(2-chloroacetyl)cyclopentyl]carbamate
CID 104701394
tert-butyl (2R,4S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-fluoropyrrolidine-1-carboxylate
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tert-butyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
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cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate (CID 171676510) is tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)N1[C@@H]2C[C@@H]2C[C@H]1C(=O)N1CC2CCCC2C1.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate?
The InChIKey is PKCNPGOROFPYHF-JUXFGPHOSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-24(2,3)31-23(30)25-18-9-5-8-17(18)21(28)27-19-10-16(19)11-20(27)22(29)26-12-14-6-4-7-15(14)13-26/h14-20H,4-13H2,1-3H3,(H,25,30)/t14?,15?,16-,17-,18+,19-,20+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate?
tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate has a molecular weight of 431.58 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate is sourced from PubChem (CID 171676510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).