(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C19H29N3O2 — CID 97458079

IUPAC(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21
InChIInChI=1S/C19H29N3O2/c1-13(2)22-17(19(23)20-9-14-5-6-14)8-15-10-21(12-18(15)22)11-16-4-3-7-24-16/h3-4,7,13-15,17-18H,5-6,8-12H2,1-2H3,(H,20,23)/t15-,17-,18+/m1/s1
InChIKeyLNXRTXVVPJZLJL-NXHRZFHOSA-N
MW331.46 g/mol
LogP2.09
Rot. Bonds6

About (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 97458079) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID97458079
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21
InChIInChI=1S/C19H29N3O2/c1-13(2)22-17(19(23)20-9-14-5-6-14)8-15-10-21(12-18(15)22)11-16-4-3-7-24-16/h3-4,7,13-15,17-18H,5-6,8-12H2,1-2H3,(H,20,23)/t15-,17-,18+/m1/s1
InChIKeyLNXRTXVVPJZLJL-NXHRZFHOSA-N
XLogP2.09
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 97458079) is (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CC(C)N1[C@@H](C(=O)NCC2CC2)C[C@@H]2CN(Cc3ccco3)C[C@@H]21.
What is the InChIKey of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is LNXRTXVVPJZLJL-NXHRZFHOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-13(2)22-17(19(23)20-9-14-5-6-14)8-15-10-21(12-18(15)22)11-16-4-3-7-24-16/h3-4,7,13-15,17-18H,5-6,8-12H2,1-2H3,(H,20,23)/t15-,17-,18+/m1/s1.
What are the key properties of (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,6aR)-N-(cyclopropylmethyl)-5-(furan-2-ylmethyl)-1-propan-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 97458079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).