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

C17H28N2O4 — CID 119190271

IUPAC3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H28N2O4/c1-12(2)10-18(8-7-16(21)22)17(23)13-9-15(20)19(11-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,21,22)
InChIKeyNRVMEIMVIXNZAE-UHFFFAOYSA-N
MW324.42 g/mol
LogP1.74
Rot. Bonds7

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

3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid (PubChem CID 119190271) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
PubChem CID119190271
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid
SMILESCC(C)CN(CCC(=O)O)C(=O)C1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H28N2O4/c1-12(2)10-18(8-7-16(21)22)17(23)13-9-15(20)19(11-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,21,22)
InChIKeyNRVMEIMVIXNZAE-UHFFFAOYSA-N
XLogP1.74
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopentyl-N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 95591973
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190608
(3R)-N,N-bis(2-cyanoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364757
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
2-[[(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carbonyl]-cyclopropylamino]acetic acid
CID 129365611
N-butan-2-yl-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 78858369
(3S)-1-cyclopentyl-N-[(1R)-1-cyclopropylethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95353422
1-cyclobutyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 110687444
3-[cyclohex-3-ene-1-carbonyl(2-methylpropyl)amino]propanoic acid
CID 119189963
3-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190523
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The IUPAC name of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid (CID 119190271) is 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid is CC(C)CN(CCC(=O)O)C(=O)C1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
The InChIKey is NRVMEIMVIXNZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-12(2)10-18(8-7-16(21)22)17(23)13-9-15(20)19(11-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,21,22).
What are the key properties of 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid?
3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid has a molecular weight of 324.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)-(2-methylpropyl)amino]propanoic acid is sourced from PubChem (CID 119190271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).