(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

C7H11NO3 — CID 637769

IUPAC(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
SMILESCC(C)C[C@H]1NC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)/t5-/m1/s1
InChIKeyJHWZWIVZROVFEM-RXMQYKEDSA-N
MW157.17 g/mol
LogP0.67
Rot. Bonds2

About (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione

(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione (PubChem CID 637769) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
PubChem CID637769
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione
SMILESCC(C)C[C@H]1NC(=O)OC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)/t5-/m1/s1
InChIKeyJHWZWIVZROVFEM-RXMQYKEDSA-N
XLogP0.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-Isopropyloxazolidine-2,5-dione
CID 102885
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384
(S)-4-isopropyloxazolidine-2,5-dione
CID 100167
(4S)-4-(2-Methylpropyl)-1,3-oxazolidin-2-one
CID 8063317
2,5-Oxazolidinedione, 4-(1-methylethyl)-, (4S)-
CID 9898854
4-(2-Methylpropyl)-1,3-oxazolidin-2-one
CID 13739951
(S)-4-isobutyloxazolidine-2,5-dione
CID 10236023
4-Butyl-1,3-oxazolidine-2,5-dione
CID 235135
Methyl 4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 4145150
Boc-L-Leu
CID 1548915
N-formylleucine methyl ester
CID 10965012
4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53448501

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione (CID 637769) is (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione is CC(C)C[C@H]1NC(=O)OC1=O.
What is the InChIKey of (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is JHWZWIVZROVFEM-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)3-5-6(9)11-7(10)8-5/h4-5H,3H2,1-2H3,(H,8,10)/t5-/m1/s1.
What are the key properties of (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione?
(4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylpropyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 637769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).