4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

C15H27N3O4 — CID 119357531

IUPAC4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCN(C)CCN1CC(C(=O)NC(C)(C)CCC(=O)O)CC1=O
InChIInChI=1S/C15H27N3O4/c1-15(2,6-5-13(20)21)16-14(22)11-9-12(19)18(10-11)8-7-17(3)4/h11H,5-10H2,1-4H3,(H,16,22)(H,20,21)
InChIKeyQMSCDQHHDCCZFN-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.16
Rot. Bonds8

About 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid

4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 119357531) has the molecular formula C15H27N3O4 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID119357531
Molecular FormulaC15H27N3O4
Molecular Weight313.40 g/mol
Exact Mass313.20
IUPAC Name4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCN(C)CCN1CC(C(=O)NC(C)(C)CCC(=O)O)CC1=O
InChIInChI=1S/C15H27N3O4/c1-15(2,6-5-13(20)21)16-14(22)11-9-12(19)18(10-11)8-7-17(3)4/h11H,5-10H2,1-4H3,(H,16,22)(H,20,21)
InChIKeyQMSCDQHHDCCZFN-UHFFFAOYSA-N
XLogP0.16
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(dimethylamino)propyl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800222
4-[[(3S)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 124682956
1-[2-(dimethylamino)ethyl]-N-(2-naphthalen-1-ylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 72913353
4-methyl-4-[[1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 119203994
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954
4-[[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353454
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
1-[2-(dimethylamino)ethyl]-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182823
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
N-(2-amino-2-ethylbutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119641855
4-methyl-4-[[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 124691395
N-(3-aminobutyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119497303

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid (CID 119357531) is 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is CN(C)CCN1CC(C(=O)NC(C)(C)CCC(=O)O)CC1=O.
What is the InChIKey of 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is QMSCDQHHDCCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O4/c1-15(2,6-5-13(20)21)16-14(22)11-9-12(19)18(10-11)8-7-17(3)4/h11H,5-10H2,1-4H3,(H,16,22)(H,20,21).
What are the key properties of 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid?
4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 313.40 g/mol, XLogP of 0.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).