(2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide

C13H26N4O2 — CID 131725568

IUPAC(2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide
SMILESCCON=C1CN[C@H](C(=O)NCCN(CC)CC)C1
InChIInChI=1S/C13H26N4O2/c1-4-17(5-2)8-7-14-13(18)12-9-11(10-15-12)16-19-6-3/h12,15H,4-10H2,1-3H3,(H,14,18)/t12-/m0/s1
InChIKeyUTHVBLSVSRXWIW-LBPRGKRZSA-N
MW270.38 g/mol
LogP0.20
Rot. Bonds8

About (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide

(2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide (PubChem CID 131725568) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide
PubChem CID131725568
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name(2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide
SMILESCCON=C1CN[C@H](C(=O)NCCN(CC)CC)C1
InChIInChI=1S/C13H26N4O2/c1-4-17(5-2)8-7-14-13(18)12-9-11(10-15-12)16-19-6-3/h12,15H,4-10H2,1-3H3,(H,14,18)/t12-/m0/s1
InChIKeyUTHVBLSVSRXWIW-LBPRGKRZSA-N
XLogP0.20
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
(2R)-N-[2-[ethyl(propyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 103814939
3-N-[2-(diethylamino)ethyl]piperazine-1,3-dicarboxamide
CID 172714521
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
(2S)-N-[2-[ethyl(propyl)amino]ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119896206
cis-(1S,2R)-2-acetyl-N-[2-(diethylamino)ethyl]cyclohexane-1-carboxamide
CID 138527082
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119837640
ethyl 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoate
CID 104896592
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide (CID 131725568) is (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide is CCON=C1CN[C@H](C(=O)NCCN(CC)CC)C1.
What is the InChIKey of (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide?
The InChIKey is UTHVBLSVSRXWIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-4-17(5-2)8-7-14-13(18)12-9-11(10-15-12)16-19-6-3/h12,15H,4-10H2,1-3H3,(H,14,18)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide?
(2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide has a molecular weight of 270.38 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(diethylamino)ethyl]-4-ethoxyiminopyrrolidine-2-carboxamide is sourced from PubChem (CID 131725568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).