(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid

C10H17N3O4S — CID 107773127

IUPAC(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
SMILESCC1(C)NC(=O)N(CCSC[C@@H](N)C(=O)O)C1=O
InChIInChI=1S/C10H17N3O4S/c1-10(2)8(16)13(9(17)12-10)3-4-18-5-6(11)7(14)15/h6H,3-5,11H2,1-2H3,(H,12,17)(H,14,15)/t6-/m1/s1
InChIKeyDGZVTAQUQFIRGD-ZCFIWIBFSA-N
MW275.33 g/mol
LogP-0.54
Rot. Bonds6

About (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid

(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid (PubChem CID 107773127) has the molecular formula C10H17N3O4S and a molecular weight of 275.33 g/mol. Its IUPAC name is (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
PubChem CID107773127
Molecular FormulaC10H17N3O4S
Molecular Weight275.33 g/mol
Exact Mass275.09
IUPAC Name(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid
SMILESCC1(C)NC(=O)N(CCSC[C@@H](N)C(=O)O)C1=O
InChIInChI=1S/C10H17N3O4S/c1-10(2)8(16)13(9(17)12-10)3-4-18-5-6(11)7(14)15/h6H,3-5,11H2,1-2H3,(H,12,17)(H,14,15)/t6-/m1/s1
InChIKeyDGZVTAQUQFIRGD-ZCFIWIBFSA-N
XLogP-0.54
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-[2-[(E)-but-2-enyl]sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 75407166
propan-2-yl 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 112722968
(2S)-2-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoylamino]propanoic acid
CID 93263187
3-(2-aminoethyl)-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 14008501
3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 38638293
3-[2-(4-hydroxyphenyl)sulfanylethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47298341
(2R)-2-amino-3-[2-(2-oxo-1-pyridinyl)ethylsulfanyl]propanoic acid
CID 82897240
3-(2-fluoroethyl)-5,5-dimethylimidazolidine-2,4-dione
CID 131132087
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylpropanamide
CID 60656567
(2R)-2-amino-3-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]propanoic acid
CID 82891712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid (CID 107773127) is (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid is CC1(C)NC(=O)N(CCSC[C@@H](N)C(=O)O)C1=O.
What is the InChIKey of (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid?
The InChIKey is DGZVTAQUQFIRGD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O4S/c1-10(2)8(16)13(9(17)12-10)3-4-18-5-6(11)7(14)15/h6H,3-5,11H2,1-2H3,(H,12,17)(H,14,15)/t6-/m1/s1.
What are the key properties of (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid?
(2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid has a molecular weight of 275.33 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethylsulfanyl]propanoic acid is sourced from PubChem (CID 107773127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).