(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

C12H22N4O3 — CID 101048119

IUPAC(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)NC(C)C
InChIInChI=1S/C12H22N4O3/c1-8(2)15-12(19)16-6-4-5-9(16)11(18)14-7-10(17)13-3/h8-9H,4-7H2,1-3H3,(H,13,17)(H,14,18)(H,15,19)/t9-/m1/s1
InChIKeyRVXABSIXSQGVSO-SECBINFHSA-N
MW270.33 g/mol
LogP-0.57
Rot. Bonds4

About (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide

(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (PubChem CID 101048119) has the molecular formula C12H22N4O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
PubChem CID101048119
Molecular FormulaC12H22N4O3
Molecular Weight270.33 g/mol
Exact Mass270.17
IUPAC Name(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
SMILESCNC(=O)CNC(=O)[C@H]1CCCN1C(=O)NC(C)C
InChIInChI=1S/C12H22N4O3/c1-8(2)15-12(19)16-6-4-5-9(16)11(18)14-7-10(17)13-3/h8-9H,4-7H2,1-3H3,(H,13,17)(H,14,18)(H,15,19)/t9-/m1/s1
InChIKeyRVXABSIXSQGVSO-SECBINFHSA-N
XLogP-0.57
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-[[2-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 57346302
tert-butyl 2-[[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71332934
tert-butyl (2S)-2-[[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 99783192
1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]azepane-2-carboxylic acid
CID 64564676
2-[[2-[[1-(2-amino-3-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]propanoic acid
CID 18297138
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
CID 71346691
2-[[1-[2-[2-[[2-(2-aminopropanoylamino)acetyl]amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 18759408
1-(5-methylhexan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 63925924
(2S)-N-(2-amino-2-oxoethyl)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carboxamide
CID 25148944
2-[[1-[2-[[1-[2-[(2-aminoacetyl)amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoic acid
CID 18347853
2-methyl-5-[[[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidine-2-carbonyl]amino]methyl]furan-3-carboxylic acid
CID 120523930
methyl 2-(propan-2-ylcarbamoyl)pyrrolidine-1-carboxylate;molecular hydrogen
CID 169160570

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide (CID 101048119) is (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)NC(C)C.
What is the InChIKey of (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
The InChIKey is RVXABSIXSQGVSO-SECBINFHSA-N. The full InChI is InChI=1S/C12H22N4O3/c1-8(2)15-12(19)16-6-4-5-9(16)11(18)14-7-10(17)13-3/h8-9H,4-7H2,1-3H3,(H,13,17)(H,14,18)(H,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide?
(2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide has a molecular weight of 270.33 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-[2-(methylamino)-2-oxoethyl]-1-N-propan-2-ylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 101048119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).