(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide

C10H17N3O3 — CID 71346691

IUPAC(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O
InChIInChI=1S/C10H17N3O3/c1-7(14)12-6-9(15)13-5-3-4-8(13)10(16)11-2/h8H,3-6H2,1-2H3,(H,11,16)(H,12,14)/t8-/m0/s1
InChIKeyGCZIYPYEGUIIBI-QMMMGPOBSA-N
MW227.26 g/mol
LogP-1.14
Rot. Bonds3

About (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide

(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide (PubChem CID 71346691) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
PubChem CID71346691
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O
InChIInChI=1S/C10H17N3O3/c1-7(14)12-6-9(15)13-5-3-4-8(13)10(16)11-2/h8H,3-6H2,1-2H3,(H,11,16)(H,12,14)/t8-/m0/s1
InChIKeyGCZIYPYEGUIIBI-QMMMGPOBSA-N
XLogP-1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopentylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 60952576
1-[2-[(9-aminobicyclo[3.3.1]nonane-3-carbonyl)amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 120988990
3-[2-(methylcarbamoyl)pyrrolidin-1-yl]-3-oxopropanoic acid
CID 62229916
(2S)-1-[2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 46182782
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-[2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 119042843
1-[2-(tert-butylamino)acetyl]-N-methylpiperidine-2-carboxamide
CID 78986673
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
methyl 4-[[2-[(2S)-2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamoyl]benzoate
CID 95273963
(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95330581
(2S)-1-[2-[(3,5-difluorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95319810
2-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylacetic acid
CID 112685367

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide (CID 71346691) is (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O.
What is the InChIKey of (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GCZIYPYEGUIIBI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(14)12-6-9(15)13-5-3-4-8(13)10(16)11-2/h8H,3-6H2,1-2H3,(H,11,16)(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide?
(2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 227.26 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-acetamidoacetyl)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71346691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).