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

C14H23N5O2 — CID 56703130

IUPAC(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nccn1C
InChIInChI=1S/C14H23N5O2/c1-4-18(5-2)13(20)11-8-10(15)9-19(11)14(21)12-16-6-7-17(12)3/h6-7,10-11H,4-5,8-9,15H2,1-3H3/t10-,11-/m0/s1
InChIKeyUHUIEWLMXHRZAM-QWRGUYRKSA-N
MW293.37 g/mol
LogP-0.17
Rot. Bonds4

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

(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 56703130) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID56703130
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nccn1C
InChIInChI=1S/C14H23N5O2/c1-4-18(5-2)13(20)11-8-10(15)9-19(11)14(21)12-16-6-7-17(12)3/h6-7,10-11H,4-5,8-9,15H2,1-3H3/t10-,11-/m0/s1
InChIKeyUHUIEWLMXHRZAM-QWRGUYRKSA-N
XLogP-0.17
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide (CID 56703130) is (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)c1nccn1C.
What is the InChIKey of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is UHUIEWLMXHRZAM-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-4-18(5-2)13(20)11-8-10(15)9-19(11)14(21)12-16-6-7-17(12)3/h6-7,10-11H,4-5,8-9,15H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide?
(2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-N,N-diethyl-1-(1-methylimidazole-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56703130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).