(2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide

C13H21N5O2 — CID 56707034

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ncc[nH]1
InChIInChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)10-7-9(14)8-18(10)13(20)11-15-5-6-16-11/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyRAGXLTKDXCHTKV-UWVGGRQHSA-N
MW279.34 g/mol
LogP-0.18
Rot. Bonds4

About (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide

(2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56707034) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56707034
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ncc[nH]1
InChIInChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)10-7-9(14)8-18(10)13(20)11-15-5-6-16-11/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)/t9-,10-/m0/s1
InChIKeyRAGXLTKDXCHTKV-UWVGGRQHSA-N
XLogP-0.18
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide (CID 56707034) is (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1ncc[nH]1.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is RAGXLTKDXCHTKV-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-3-17(4-2)12(19)10-7-9(14)8-18(10)13(20)11-15-5-6-16-11/h5-6,9-10H,3-4,7-8,14H2,1-2H3,(H,15,16)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(1H-imidazole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56707034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).