(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide

C8H13N3O3 — CID 143329837

IUPAC(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide
SMILESCNCC(=O)N1CC(=O)C[C@H]1C(N)=O
InChIInChI=1S/C8H13N3O3/c1-10-3-7(13)11-4-5(12)2-6(11)8(9)14/h6,10H,2-4H2,1H3,(H2,9,14)/t6-/m0/s1
InChIKeyPIPDIBJANAZWCX-LURJTMIESA-N
MW199.21 g/mol
LogP-2.14
Rot. Bonds3

About (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide

(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide (PubChem CID 143329837) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide
PubChem CID143329837
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide
SMILESCNCC(=O)N1CC(=O)C[C@H]1C(N)=O
InChIInChI=1S/C8H13N3O3/c1-10-3-7(13)11-4-5(12)2-6(11)8(9)14/h6,10H,2-4H2,1H3,(H2,9,14)/t6-/m0/s1
InChIKeyPIPDIBJANAZWCX-LURJTMIESA-N
XLogP-2.14
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-2.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-4-oxo-1-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylate
CID 131712511
(5S)-5-acetyl-1-propanoylpyrrolidin-3-one
CID 142269087
(2S)-N-cyclopropyl-1-(2-formamidoacetyl)-4-oxopyrrolidine-2-carboxamide
CID 143329783
1-(2-methoxyacetyl)-4-methoxyiminopyrrolidine-2-carboxamide
CID 142687684
1-[3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propanoyl]-4-oxopyrrolidine-2-carboxamide
CID 123570125
(2S)-1-[3-[[3-[(2S)-2-carboxy-4-oxopyrrolidin-1-yl]-3-oxopropyl]disulfanyl]propanoyl]-4-oxopyrrolidine-2-carboxylic acid
CID 12773673
1-[2-(methylamino)acetyl]piperidin-4-one
CID 110479082
1-[2-(methylamino)acetyl]-2,5-dihydropyrrole-2-carbaldehyde
CID 20648600
2-[1-[2-(methylamino)acetyl]piperidin-2-yl]acetamide;hydrochloride
CID 119756579
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
ethyl 2-methyl-4-oxopyrrolidine-1-carboxylate
CID 84820035
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide (CID 143329837) is (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide is CNCC(=O)N1CC(=O)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide?
The InChIKey is PIPDIBJANAZWCX-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O3/c1-10-3-7(13)11-4-5(12)2-6(11)8(9)14/h6,10H,2-4H2,1H3,(H2,9,14)/t6-/m0/s1.
What are the key properties of (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide?
(2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(methylamino)acetyl]-4-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 143329837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).