(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide

C10H17N3O4 — CID 142833524

IUPAC(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESCOCC(=O)NCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H17N3O4/c1-17-6-8(14)12-5-9(15)13-4-2-3-7(13)10(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,14)/t7-/m0/s1
InChIKeyYQRVOPDTWKDHQI-ZETCQYMHSA-N
MW243.26 g/mol
LogP-1.77
Rot. Bonds5

About (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide

(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide (PubChem CID 142833524) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
PubChem CID142833524
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
SMILESCOCC(=O)NCC(=O)N1CCC[C@H]1C(N)=O
InChIInChI=1S/C10H17N3O4/c1-17-6-8(14)12-5-9(15)13-4-2-3-7(13)10(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,14)/t7-/m0/s1
InChIKeyYQRVOPDTWKDHQI-ZETCQYMHSA-N
XLogP-1.77
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-1.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
(2S)-1-[2-[(2-cyclohexylacetyl)amino]acetyl]piperidine-2-carboxamide
CID 97315922
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
N'-hydroxy-1-(2-methoxyacetyl)pyrrolidine-2-carboximidamide
CID 77035994
(2S)-1-[2-(cyclohexylamino)acetyl]pyrrolidine-2-carboxamide
CID 143684092
3-(2-carbamoylpyrrolidin-1-yl)-3-oxopropanoic acid
CID 62231270
1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid
CID 16773864
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
5-[(2S)-2-carbamoylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 11390539
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
CID 112604323
[2-[[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamoyloxy]-2-methylpropyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 70944512

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide (CID 142833524) is (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide is COCC(=O)NCC(=O)N1CCC[C@H]1C(N)=O.
What is the InChIKey of (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is YQRVOPDTWKDHQI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-17-6-8(14)12-5-9(15)13-4-2-3-7(13)10(11)16/h7H,2-6H2,1H3,(H2,11,16)(H,12,14)/t7-/m0/s1.
What are the key properties of (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 243.26 g/mol, XLogP of -1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 142833524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).