5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid

C13H23N3O4 — CID 63536519

IUPAC5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C13H23N3O4/c1-9(7-12(18)19)6-11(17)14-13(20)16-5-4-10(8-16)15(2)3/h9-10H,4-8H2,1-3H3,(H,18,19)(H,14,17,20)
InChIKeyHYFNWROYHUDGSK-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.36
Rot. Bonds5

About 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid

5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 63536519) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID63536519
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C13H23N3O4/c1-9(7-12(18)19)6-11(17)14-13(20)16-5-4-10(8-16)15(2)3/h9-10H,4-8H2,1-3H3,(H,18,19)(H,14,17,20)
InChIKeyHYFNWROYHUDGSK-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
5-[(2-ethylmorpholine-4-carbonyl)amino]-3-methyl-5-oxopentanoic acid
CID 62965510
5-[[cyclopropyl(methyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 62965679
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373
2-[[2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 55220965
5-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-3-methyl-5-oxopentanoic acid
CID 78918801
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126
2-[2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]-2-oxoethoxy]acetic acid
CID 61329470
5-[[3-(dimethylamino)piperidine-1-carbonyl]amino]-4-methylpentanoic acid
CID 82013959

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid (CID 63536519) is 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC(=O)N1CCC(N(C)C)C1.
What is the InChIKey of 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is HYFNWROYHUDGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(7-12(18)19)6-11(17)14-13(20)16-5-4-10(8-16)15(2)3/h9-10H,4-8H2,1-3H3,(H,18,19)(H,14,17,20).
What are the key properties of 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 285.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 63536519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).