5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid

C13H23N3O4 — CID 106980283

IUPAC5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C1(C(=O)NC(CCC(N)=O)C(=O)O)CCNC1
InChIInChI=1S/C13H23N3O4/c1-8(2)13(5-6-15-7-13)12(20)16-9(11(18)19)3-4-10(14)17/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,20)(H,18,19)
InChIKeyIJBBCNCNODFCJX-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.54
Rot. Bonds7

About 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid

5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid (PubChem CID 106980283) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
PubChem CID106980283
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
SMILESCC(C)C1(C(=O)NC(CCC(N)=O)C(=O)O)CCNC1
InChIInChI=1S/C13H23N3O4/c1-8(2)13(5-6-15-7-13)12(20)16-9(11(18)19)3-4-10(14)17/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,20)(H,18,19)
InChIKeyIJBBCNCNODFCJX-UHFFFAOYSA-N
XLogP-0.54
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid with MolForge

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Related Compounds

(2R)-5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107830415
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
(2S)-5-amino-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 104596611
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
3-(1H-imidazol-5-yl)-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 107864268
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid (CID 106980283) is 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid is CC(C)C1(C(=O)NC(CCC(N)=O)C(=O)O)CCNC1.
What is the InChIKey of 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is IJBBCNCNODFCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-8(2)13(5-6-15-7-13)12(20)16-9(11(18)19)3-4-10(14)17/h8-9,15H,3-7H2,1-2H3,(H2,14,17)(H,16,20)(H,18,19).
What are the key properties of 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid?
5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 285.34 g/mol, XLogP of -0.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 106980283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).