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

C14H25N5O — CID 56721956

IUPAC(2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1nc[nH]c1C
InChIInChI=1S/C14H25N5O/c1-4-18(5-2)14(20)13-6-11(15)7-19(13)8-12-10(3)16-9-17-12/h9,11,13H,4-8,15H2,1-3H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyACABRIHZHKQYGC-YPMHNXCESA-N
MW279.39 g/mol
LogP0.49
Rot. Bonds5

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

(2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 56721956) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID56721956
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name(2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1nc[nH]c1C
InChIInChI=1S/C14H25N5O/c1-4-18(5-2)14(20)13-6-11(15)7-19(13)8-12-10(3)16-9-17-12/h9,11,13H,4-8,15H2,1-3H3,(H,16,17)/t11-,13+/m1/s1
InChIKeyACABRIHZHKQYGC-YPMHNXCESA-N
XLogP0.49
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 56721956) is (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](N)CN1Cc1nc[nH]c1C.
What is the InChIKey of (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ACABRIHZHKQYGC-YPMHNXCESA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-18(5-2)14(20)13-6-11(15)7-19(13)8-12-10(3)16-9-17-12/h9,11,13H,4-8,15H2,1-3H3,(H,16,17)/t11-,13+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N,N-diethyl-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56721956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).