(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide

C20H31N3O3 — CID 72853308

IUPAC(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1ccoc1
InChIInChI=1S/C20H31N3O3/c1-3-22(4-2)20(25)18-11-17(21-19(24)16-7-5-6-8-16)13-23(18)12-15-9-10-26-14-15/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,21,24)/t17-,18+/m1/s1
InChIKeyJVONHZBDXVHWHC-MSOLQXFVSA-N
MW361.49 g/mol
LogP2.40
Rot. Bonds7

About (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide

(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 72853308) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID72853308
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1ccoc1
InChIInChI=1S/C20H31N3O3/c1-3-22(4-2)20(25)18-11-17(21-19(24)16-7-5-6-8-16)13-23(18)12-15-9-10-26-14-15/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,21,24)/t17-,18+/m1/s1
InChIKeyJVONHZBDXVHWHC-MSOLQXFVSA-N
XLogP2.40
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide (CID 72853308) is (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1ccoc1.
What is the InChIKey of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is JVONHZBDXVHWHC-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-3-22(4-2)20(25)18-11-17(21-19(24)16-7-5-6-8-16)13-23(18)12-15-9-10-26-14-15/h9-10,14,16-18H,3-8,11-13H2,1-2H3,(H,21,24)/t17-,18+/m1/s1.
What are the key properties of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-(furan-3-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 72853308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).