(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid

C10H16N2O4 — CID 83194716

IUPAC(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)N1C(=O)CC(N[C@@H](C)C(=O)O)C1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)12-8(13)4-7(9(12)14)11-6(3)10(15)16/h5-7,11H,4H2,1-3H3,(H,15,16)/t6-,7?/m0/s1
InChIKeyDODGWKAQLMMWCN-PKPIPKONSA-N
MW228.25 g/mol
LogP-0.41
Rot. Bonds4

About (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid

(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid (PubChem CID 83194716) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
PubChem CID83194716
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
SMILESCC(C)N1C(=O)CC(N[C@@H](C)C(=O)O)C1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)12-8(13)4-7(9(12)14)11-6(3)10(15)16/h5-7,11H,4H2,1-3H3,(H,15,16)/t6-,7?/m0/s1
InChIKeyDODGWKAQLMMWCN-PKPIPKONSA-N
XLogP-0.41
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]propanoic acid
CID 43638674
2-[(2,5-dioxo-1-pentan-3-ylpyrrolidin-3-yl)amino]-3-methylbutanoic acid
CID 43638681
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
CID 54950819
methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207
3-(6-methylheptan-2-ylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 61469351
1-propan-2-yl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 61473329
1-cyclohexyl-3-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 71852782
3-[1-(3-chlorophenyl)ethylamino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 61043290
3-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]-N-ethylpropanamide
CID 112697490
1-propan-2-yl-3-(4-propan-2-ylanilino)pyrrolidine-2,5-dione
CID 43636471
1-propan-2-yl-3-(pyrrol-1-ylamino)pyrrolidine-2,5-dione
CID 79100069
3-(cyclohexylamino)-1-propan-2-ylpyrrolidine-2,5-dione
CID 43636059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid (CID 83194716) is (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid is CC(C)N1C(=O)CC(N[C@@H](C)C(=O)O)C1=O.
What is the InChIKey of (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is DODGWKAQLMMWCN-PKPIPKONSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5(2)12-8(13)4-7(9(12)14)11-6(3)10(15)16/h5-7,11H,4H2,1-3H3,(H,15,16)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid?
(2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 83194716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).