2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid

C14H25N3O4 — CID 108800194

IUPAC2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)C1CC(=O)N(CCCN(C)C)C1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-11(14(20)21)15-13(19)10-8-12(18)17(9-10)7-5-6-16(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyUMPQWPAYUCPTLW-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.23
Rot. Bonds8

About 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid

2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid (PubChem CID 108800194) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
PubChem CID108800194
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
SMILESCCC(NC(=O)C1CC(=O)N(CCCN(C)C)C1)C(=O)O
InChIInChI=1S/C14H25N3O4/c1-4-11(14(20)21)15-13(19)10-8-12(18)17(9-10)7-5-6-16(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)(H,20,21)
InChIKeyUMPQWPAYUCPTLW-UHFFFAOYSA-N
XLogP-0.23
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 108800383
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
N-butyl-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787285
(2S)-2-[[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119372569
(3R)-1-butyl-N-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 9397964
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[3-(dimethylamino)propyl]-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 108800222
2-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 119223213
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 43469521
(3S)-N-[(2R)-butan-2-yl]-1-butyl-5-oxopyrrolidine-3-carboxamide
CID 9398572

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
The IUPAC name of 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid (CID 108800194) is 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid is CCC(NC(=O)C1CC(=O)N(CCCN(C)C)C1)C(=O)O.
What is the InChIKey of 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
The InChIKey is UMPQWPAYUCPTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-11(14(20)21)15-13(19)10-8-12(18)17(9-10)7-5-6-16(2)3/h10-11H,4-9H2,1-3H3,(H,15,19)(H,20,21).
What are the key properties of 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid?
2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of -0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]butanoic acid is sourced from PubChem (CID 108800194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).