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

C14H26N2O3 — CID 57259664

IUPAC2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate
SMILESCC(C)COC(=O)CCC1NC(=O)[C@H](CC(C)C)N1
InChIInChI=1S/C14H26N2O3/c1-9(2)7-11-14(18)16-12(15-11)5-6-13(17)19-8-10(3)4/h9-12,15H,5-8H2,1-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyBOXRJBVOYYUKCL-PXYINDEMSA-N
MW270.37 g/mol
LogP1.43
Rot. Bonds7

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

2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate (PubChem CID 57259664) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate.

Molecular Properties

Compound Name2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate
PubChem CID57259664
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate
SMILESCC(C)COC(=O)CCC1NC(=O)[C@H](CC(C)C)N1
InChIInChI=1S/C14H26N2O3/c1-9(2)7-11-14(18)16-12(15-11)5-6-13(17)19-8-10(3)4/h9-12,15H,5-8H2,1-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyBOXRJBVOYYUKCL-PXYINDEMSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 1-[2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 4329589
alpha,1-Diethyl-2,5-dioxo-4-methyl-4-imidazolidineacetic acid ethyl ester
CID 20833911
2,5-Dioxo-alpha-ethyl-4-methyl-1-propyl-4-imidazolidineacetic acid ethyl ester
CID 20833915
ethyl (2S)-3-methyl-2-[(2-oxopyrrolidin-1-yl)methylamino]butanoate
CID 10421862
ethyl (2S)-3-methyl-2-[[(2R)-2-methyl-5-oxopyrrolidin-1-yl]methylamino]butanoate
CID 11777186
Isobutyl 4-oxo-2-imidazolidinepropanoate
CID 19770791
Ethyl 2-(4-oxo-2-propan-2-ylimidazolidin-2-yl)acetate
CID 53710139
2-methylpropyl 3-[(4S)-4-methyl-5-oxoimidazolidin-2-yl]propanoate
CID 57231664
methyl (2S)-2-methyl-4-[[(2S)-4-methyl-2-(methylamino)pentanoyl]amino]butanoate
CID 59100252
Ethyl 3-(4-oxoimidazolidin-2-yl)propanoate
CID 66713710
Isobutyl 5-oxo-2-imidazolidinepropanoate hydrochloride
CID 67886019
3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 67886314

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate?
The IUPAC name of 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate (CID 57259664) is 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate.
What is the SMILES notation for 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate?
The canonical SMILES for 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate is CC(C)COC(=O)CCC1NC(=O)[C@H](CC(C)C)N1.
What is the InChIKey of 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate?
The InChIKey is BOXRJBVOYYUKCL-PXYINDEMSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-9(2)7-11-14(18)16-12(15-11)5-6-13(17)19-8-10(3)4/h9-12,15H,5-8H2,1-4H3,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of 2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate?
2-methylpropyl 3-[(4S)-4-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate has a molecular weight of 270.37 g/mol, XLogP of 1.43, 7 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-(2-methylpropyl)-5-oxoimidazolidin-2-yl]propanoate is sourced from PubChem (CID 57259664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).