2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate

C11H20N2O3 — CID 57231664

IUPAC2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate
SMILESCC(C)COC(=O)CCC1NC(=O)[C@H](C)N1
InChIInChI=1S/C11H20N2O3/c1-7(2)6-16-10(14)5-4-9-12-8(3)11(15)13-9/h7-9,12H,4-6H2,1-3H3,(H,13,15)/t8-,9?/m0/s1
InChIKeyVZEQOVYGNAXOLP-IENPIDJESA-N
MW228.29 g/mol
LogP0.40
Rot. Bonds5

About 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate

2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate (PubChem CID 57231664) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate.

Molecular Properties

Compound Name2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate
PubChem CID57231664
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate
SMILESCC(C)COC(=O)CCC1NC(=O)[C@H](C)N1
InChIInChI=1S/C11H20N2O3/c1-7(2)6-16-10(14)5-4-9-12-8(3)11(15)13-9/h7-9,12H,4-6H2,1-3H3,(H,13,15)/t8-,9?/m0/s1
InChIKeyVZEQOVYGNAXOLP-IENPIDJESA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)butanoate
CID 43215732
(5S)-5-ethyl-3-(4-methoxybutyl)imidazolidine-2,4-dione
CID 97074949
ethyl (2S)-3-methyl-2-[(2-oxopyrrolidin-1-yl)methylamino]butanoate
CID 10421862
Isobutyl 4-oxo-2-imidazolidinepropanoate
CID 19770791
2-methylpropyl 3-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoate
CID 56991131
Isobutyl (4S)-4-isobutyl-5-oxo-2-imidazolidinepropanoate
CID 57259664
ethyl (3S)-3-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl-methylamino]-4-(methylamino)-4-oxobutanoate
CID 59902374
ethyl (3S)-4-(methylamino)-3-[methyl-[2-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)propanoyl]amino]-4-oxobutanoate
CID 59902388
Ethyl 3-(4-oxoimidazolidin-2-yl)propanoate
CID 66713710
Isobutyl 5-oxo-2-imidazolidinepropanoate hydrochloride
CID 67886019
methyl N-[(2R)-1-[(2S)-2-aminopyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67962750
2-Methylpropyl 2-(4-oxoimidazolidin-2-yl)propanoate;hydrochloride
CID 70385167

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate?
The IUPAC name of 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate (CID 57231664) is 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate.
What is the SMILES notation for 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate?
The canonical SMILES for 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate is CC(C)COC(=O)CCC1NC(=O)[C@H](C)N1.
What is the InChIKey of 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate?
The InChIKey is VZEQOVYGNAXOLP-IENPIDJESA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7(2)6-16-10(14)5-4-9-12-8(3)11(15)13-9/h7-9,12H,4-6H2,1-3H3,(H,13,15)/t8-,9?/m0/s1.
What are the key properties of 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate?
2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate is sourced from PubChem (CID 57231664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).