4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid

C11H18N2O5 — CID 166590747

IUPAC4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H18N2O5/c14-8-4-6-13(7-8)10(16)3-5-12-9(15)1-2-11(17)18/h8,14H,1-7H2,(H,12,15)(H,17,18)/t8-/m1/s1
InChIKeyJMDWFGXATSHQEF-MRVPVSSYSA-N
MW258.27 g/mol
LogP-1.05
Rot. Bonds6

About 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid

4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid (PubChem CID 166590747) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
PubChem CID166590747
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C11H18N2O5/c14-8-4-6-13(7-8)10(16)3-5-12-9(15)1-2-11(17)18/h8,14H,1-7H2,(H,12,15)(H,17,18)/t8-/m1/s1
InChIKeyJMDWFGXATSHQEF-MRVPVSSYSA-N
XLogP-1.05
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
1-(3-hydroxypyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107028868
N-[3-[(3S)-3-hydroxypiperidin-1-yl]-3-oxopropyl]acetamide
CID 107224919
4-[[3-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid
CID 166590760
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]furan-3-carboxamide
CID 62917113
N-[3-(3-hydroxypyrrolidin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 62916407
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
7-oxo-7-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]heptanoic acid
CID 166263523
N-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]acetamide
CID 62917262
N-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 66291157
1-(3-hydroxypyrrolidin-1-yl)tridecane-1,12-dione
CID 134480941

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid (CID 166590747) is 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid?
The InChIKey is JMDWFGXATSHQEF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N2O5/c14-8-4-6-13(7-8)10(16)3-5-12-9(15)1-2-11(17)18/h8,14H,1-7H2,(H,12,15)(H,17,18)/t8-/m1/s1.
What are the key properties of 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid?
4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid has a molecular weight of 258.27 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 166590747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).