(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide

C12H23N3O2 — CID 114085030

IUPAC(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C12H23N3O2/c1-4-15(5-2)11(16)8-14-12(17)10-7-13-6-9(10)3/h9-10,13H,4-8H2,1-3H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyZXKLWACEQZUNTQ-NXEZZACHSA-N
MW241.33 g/mol
LogP-0.17
Rot. Bonds5

About (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide

(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 114085030) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID114085030
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide
SMILESCCN(CC)C(=O)CNC(=O)[C@@H]1CNC[C@H]1C
InChIInChI=1S/C12H23N3O2/c1-4-15(5-2)11(16)8-14-12(17)10-7-13-6-9(10)3/h9-10,13H,4-8H2,1-3H3,(H,14,17)/t9-,10-/m1/s1
InChIKeyZXKLWACEQZUNTQ-NXEZZACHSA-N
XLogP-0.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47027648
cis-(1S,2R)-2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092786
2-[[2-(diethylamino)-2-oxoethyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391307
(3S,4R)-N,4-dimethylpyrrolidine-3-carboxamide
CID 166890060
N-[(1-ethylcyclopropyl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 103822212
N-[2-(diethylamino)-2-oxoethyl]-5-oxopyrrolidine-3-carboxamide
CID 113228049
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 112702810
N-(3-hydroxypropyl)-4-methylpyrrolidine-3-carboxamide
CID 63715754
N-(2-amino-2-oxoethyl)-N-ethyl-4-methylpyrrolidine-3-carboxamide
CID 103101983
N-[1-(diethylamino)propan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 63715172
4-methyl-N-(2-methylsulfanylethyl)pyrrolidine-3-carboxamide
CID 63959724
(3S,4S)-N-[2-[cyclopropyl(methyl)amino]propyl]-4-methylpyrrolidine-3-carboxamide
CID 114134011

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide (CID 114085030) is (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide is CCN(CC)C(=O)CNC(=O)[C@@H]1CNC[C@H]1C.
What is the InChIKey of (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is ZXKLWACEQZUNTQ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-4-15(5-2)11(16)8-14-12(17)10-7-13-6-9(10)3/h9-10,13H,4-8H2,1-3H3,(H,14,17)/t9-,10-/m1/s1.
What are the key properties of (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide?
(3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 241.33 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-N-[2-(diethylamino)-2-oxoethyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 114085030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).