(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

C11H16N2O4 — CID 11402201

IUPAC(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESCC1(C)NC(=O)N([C@@H](CC2CC2)C(=O)O)C1=O
InChIInChI=1S/C11H16N2O4/c1-11(2)9(16)13(10(17)12-11)7(8(14)15)5-6-3-4-6/h6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKeyDRTRYKVUCQVYFN-ZETCQYMHSA-N
MW240.26 g/mol
LogP0.57
Rot. Bonds4

About (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid

(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 11402201) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID11402201
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid
SMILESCC1(C)NC(=O)N([C@@H](CC2CC2)C(=O)O)C1=O
InChIInChI=1S/C11H16N2O4/c1-11(2)9(16)13(10(17)12-11)7(8(14)15)5-6-3-4-6/h6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)/t7-/m0/s1
InChIKeyDRTRYKVUCQVYFN-ZETCQYMHSA-N
XLogP0.57
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-amino-2-[[(2S)-1-(2-aminoacetyl)-2-methylpyrrolidine-2-carbonyl]amino]hexanoic acid
CID 127036032
2-(4-Cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 3162839
(2S)-3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic Acid
CID 9946262
3-Cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 22390021
tert-butyl (2S)-3-cyclopropyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoate
CID 59925948
(2S)-3-cyclopropyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 59925949
(2S)-4-methyl-2-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]pentanoic acid
CID 59925950
(2R)-3-cyclopropyl-2-[2,5-dioxo-4,4-bis(trifluoromethyl)imidazolidin-1-yl]propanoic acid
CID 87697238
2-(4-Butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-fluoroacetic acid
CID 81298135
(2,5-Dioxo-4,4-dipropylimidazolidin-1-yl)acetic acid
CID 2113910
2-[4-Methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 4961607
(2S)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-methylpentanoic acid
CID 15895597

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid (CID 11402201) is (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid is CC1(C)NC(=O)N([C@@H](CC2CC2)C(=O)O)C1=O.
What is the InChIKey of (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is DRTRYKVUCQVYFN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2)9(16)13(10(17)12-11)7(8(14)15)5-6-3-4-6/h6-7H,3-5H2,1-2H3,(H,12,17)(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid?
(2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 11402201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).