(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide

C20H33N5O2 — CID 72928263

IUPAC(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1nc[nH]c1C
InChIInChI=1S/C20H33N5O2/c1-4-24(5-2)20(27)18-10-16(23-19(26)15-8-6-7-9-15)11-25(18)12-17-14(3)21-13-22-17/h13,15-16,18H,4-12H2,1-3H3,(H,21,22)(H,23,26)/t16-,18+/m1/s1
InChIKeyUHQJTLJKZOCCII-AEFFLSMTSA-N
MW375.52 g/mol
LogP1.84
Rot. Bonds7

About (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 72928263) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID72928263
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1nc[nH]c1C
InChIInChI=1S/C20H33N5O2/c1-4-24(5-2)20(27)18-10-16(23-19(26)15-8-6-7-9-15)11-25(18)12-17-14(3)21-13-22-17/h13,15-16,18H,4-12H2,1-3H3,(H,21,22)(H,23,26)/t16-,18+/m1/s1
InChIKeyUHQJTLJKZOCCII-AEFFLSMTSA-N
XLogP1.84
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
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-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 72928263) is (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)C2CCCC2)CN1Cc1nc[nH]c1C.
What is the InChIKey of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UHQJTLJKZOCCII-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-4-24(5-2)20(27)18-10-16(23-19(26)15-8-6-7-9-15)11-25(18)12-17-14(3)21-13-22-17/h13,15-16,18H,4-12H2,1-3H3,(H,21,22)(H,23,26)/t16-,18+/m1/s1.
What are the key properties of (2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-(cyclopentanecarbonylamino)-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 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-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 72928263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).