(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide

C11H21N3O4 — CID 139999133

IUPAC(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide
SMILESCCOC1(OCC)CC[C@@H](C(N)=O)N1CC(N)=O
InChIInChI=1S/C11H21N3O4/c1-3-17-11(18-4-2)6-5-8(10(13)16)14(11)7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H2,13,16)/t8-/m0/s1
InChIKeyPPKFPADHPGKOGD-QMMMGPOBSA-N
MW259.31 g/mol
LogP-0.85
Rot. Bonds7

About (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide

(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide (PubChem CID 139999133) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide
PubChem CID139999133
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide
SMILESCCOC1(OCC)CC[C@@H](C(N)=O)N1CC(N)=O
InChIInChI=1S/C11H21N3O4/c1-3-17-11(18-4-2)6-5-8(10(13)16)14(11)7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H2,13,16)/t8-/m0/s1
InChIKeyPPKFPADHPGKOGD-QMMMGPOBSA-N
XLogP-0.85
TPSA107.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethoxyaziridine-2-carboxamide
CID 533738
2-(2,2,4-trimethylazetidin-1-yl)acetamide
CID 130709339
1-(2-amino-2-oxoethyl)-5-oxopyrrolidine-2-carboxamide
CID 3657675
cyclopropanecarboxamide;propanamide
CID 174752815
ethyl 1-(2-amino-2-oxoethyl)pyrrolidine-3-carboxylate
CID 175556675
2-(2-ethylspiro[3.5]nonan-7-yl)acetamide
CID 71244357
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
tert-butyl 5-carbamoyl-2,2-dimethylpyrrolidine-1-carboxylate
CID 66630657
2-(4-ethylpiperidin-1-yl)acetamide
CID 23381133
1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-one
CID 83226738
ethyl 5-(2-carbamoylpyrrolidin-1-yl)-4-oxopentanoate
CID 103484289
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-methylbutan-1-one
CID 116750112

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide (CID 139999133) is (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide is CCOC1(OCC)CC[C@@H](C(N)=O)N1CC(N)=O.
What is the InChIKey of (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide?
The InChIKey is PPKFPADHPGKOGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-3-17-11(18-4-2)6-5-8(10(13)16)14(11)7-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H2,13,16)/t8-/m0/s1.
What are the key properties of (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide?
(2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide has a molecular weight of 259.31 g/mol, XLogP of -0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-amino-2-oxoethyl)-5,5-diethoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 139999133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).