3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid

C13H20N2O5 — CID 66167044

IUPAC3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H20N2O5/c16-10(13(19)20)6-14-12(18)8-5-11(17)15(7-8)9-3-1-2-4-9/h8-10,16H,1-7H2,(H,14,18)(H,19,20)
InChIKeyHWDQEYOKUUBFGK-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.66
Rot. Bonds5

About 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66167044) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66167044
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid
SMILESO=C(O)C(O)CNC(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C13H20N2O5/c16-10(13(19)20)6-14-12(18)8-5-11(17)15(7-8)9-3-1-2-4-9/h8-10,16H,1-7H2,(H,14,18)(H,19,20)
InChIKeyHWDQEYOKUUBFGK-UHFFFAOYSA-N
XLogP-0.66
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-cycloheptyl-N-[(2S)-2-cyclopentyl-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 99774273
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
1-cyclopropyl-N-[(2R)-2-hydroxypropyl]-5-oxopyrrolidine-3-carboxamide
CID 83032066
(3S)-1-cyclopentyl-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 9364638
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
1-cyclopentyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-oxopyrrolidine-3-carboxamide
CID 78866844
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
(3R)-1-cyclopentyl-N-[(2R)-2-[(2R)-2-methylpiperidin-1-yl]propyl]-5-oxopyrrolidine-3-carboxamide
CID 124856375
(3R)-1-cyclopentyl-N-[(2S)-2-ethylhexyl]-5-oxopyrrolidine-3-carboxamide
CID 9364712
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81369322
1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120813021

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid (CID 66167044) is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid is O=C(O)C(O)CNC(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is HWDQEYOKUUBFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c16-10(13(19)20)6-14-12(18)8-5-11(17)15(7-8)9-3-1-2-4-9/h8-10,16H,1-7H2,(H,14,18)(H,19,20).
What are the key properties of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 284.31 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).