(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide

C19H31N3O5 — CID 174282283

IUPAC(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
SMILESCC(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C19H31N3O5/c1-10(2)14-9-16(24)22(19(14)27)8-7-15(23)20-13(6)18(26)21-12(5)17(25)11(3)4/h10-14H,7-9H2,1-6H3,(H,20,23)(H,21,26)/t12-,13-,14?/m0/s1
InChIKeyLAAREIAXPUIXCN-RFHHWMCGSA-N
MW381.47 g/mol
LogP0.64
Rot. Bonds9

About (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide

(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide (PubChem CID 174282283) has the molecular formula C19H31N3O5 and a molecular weight of 381.47 g/mol. Its IUPAC name is (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
PubChem CID174282283
Molecular FormulaC19H31N3O5
Molecular Weight381.47 g/mol
Exact Mass381.23
IUPAC Name(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
SMILESCC(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN1C(=O)CC(C(C)C)C1=O
InChIInChI=1S/C19H31N3O5/c1-10(2)14-9-16(24)22(19(14)27)8-7-15(23)20-13(6)18(26)21-12(5)17(25)11(3)4/h10-14H,7-9H2,1-6H3,(H,20,23)(H,21,26)/t12-,13-,14?/m0/s1
InChIKeyLAAREIAXPUIXCN-RFHHWMCGSA-N
XLogP0.64
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoic acid
CID 170724310
(2S)-2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
CID 139443258
1-(5-methyl-3-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 154612252
1-(7-methyl-6-oxooctyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 59713237
1-(5-oxohexyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 130267117
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 140650822
18-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethylamino]-18-oxooctadecanoic acid
CID 164802056
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[3-methyl-3-(3,3,4-trimethylpentoxy)butyl]propanamide
CID 170010835
1-(6,6-dimethyl-5-oxoheptyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 146228600
2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 118201010
[4-[[(2S)-2-[[(2S)-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl propanoate
CID 177177499

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide?
The IUPAC name of (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide (CID 174282283) is (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide is CC(C)C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCN1C(=O)CC(C(C)C)C1=O.
What is the InChIKey of (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide?
The InChIKey is LAAREIAXPUIXCN-RFHHWMCGSA-N. The full InChI is InChI=1S/C19H31N3O5/c1-10(2)14-9-16(24)22(19(14)27)8-7-15(23)20-13(6)18(26)21-12(5)17(25)11(3)4/h10-14H,7-9H2,1-6H3,(H,20,23)(H,21,26)/t12-,13-,14?/m0/s1.
What are the key properties of (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide?
(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide has a molecular weight of 381.47 g/mol, XLogP of 0.64, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide is sourced from PubChem (CID 174282283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).